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 3k5i_1_C DATA FIRST_RESID 1 DATA SEQUENCE MWNSRKVGVL GGGQLGRMLV ESANRLNIQV NVLDADNSPA KQISAHDGHV DATA SEQUENCE TGSFKEREAV RQLAKTCDVV TAEIEHVDTY ALEEVASEVK IEPSWQAIRT DATA SEQUENCE IQNKFNQKEH LRKYGIPMAE HRELVENTPA ELAKVGEQLG YPLMLKSKTM DATA SEQUENCE AYDGRGNFRV NSQDDIPEAL EALKDRPLYA EKWAYFKMEL AVIVVKTKDE DATA SEQUENCE VLSYPTVETV QEDSICKLVY APARNVSDAI NQKAQELARK AVAAFDGKGV DATA SEQUENCE FGVEMFLLED DSIMLCEIAS RIHNSGHYTI EGCALSQFDA HLRAILDLPI DATA SEQUENCE PAQSLEIRQP SIMLNIIGGA APDTHLQAAE CALSIPNASI HLYSKGAAKP DATA SEQUENCE GRKMGHITVT APTMHEAETH IQPLIDVVDR IR 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 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.079 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 W N 3.581 124.875 121.300 -0.009 0.000 2.325 2 W HA -0.130 4.532 4.660 0.003 0.000 0.299 2 W C 0.587 177.100 176.519 -0.011 0.000 1.215 2 W CA 1.764 59.103 57.345 -0.009 0.000 1.244 2 W CB -1.513 27.943 29.460 -0.007 0.000 1.140 2 W HN 0.519 8.699 8.180 -0.000 0.000 0.523 3 N N 1.180 119.439 118.700 -0.735 0.000 2.389 3 N HA 0.018 4.760 4.740 0.004 0.000 0.260 3 N C 0.727 175.997 175.510 -0.400 0.000 1.191 3 N CA 0.571 53.231 53.050 -0.650 0.000 0.885 3 N CB -0.302 37.332 38.487 -1.422 0.000 1.162 3 N HN 0.188 8.568 8.380 -0.000 0.000 0.512 4 S N -0.836 114.704 115.700 -0.267 0.000 2.503 4 S HA 0.189 4.661 4.470 0.004 0.000 0.217 4 S C 0.908 175.437 174.600 -0.118 0.000 0.999 4 S CA -0.439 57.649 58.200 -0.186 0.000 0.914 4 S CB 0.340 63.452 63.200 -0.148 0.000 0.782 4 S HN 0.087 8.397 8.310 -0.000 0.000 0.520 5 R N 2.445 122.897 120.500 -0.081 0.000 2.738 5 R HA 0.348 4.690 4.340 0.004 0.000 0.268 5 R C -0.263 176.000 176.300 -0.063 0.000 1.062 5 R CA 0.213 56.283 56.100 -0.051 0.000 1.158 5 R CB 0.108 30.396 30.300 -0.019 0.000 1.046 5 R HN 0.442 8.712 8.270 -0.000 0.000 0.493 6 K N 0.755 121.123 120.400 -0.053 0.000 2.182 6 K HA 0.422 4.745 4.320 0.004 0.000 0.262 6 K C -0.566 176.022 176.600 -0.021 0.000 0.957 6 K CA -0.827 55.426 56.287 -0.058 0.000 0.842 6 K CB 1.940 34.392 32.500 -0.080 0.000 1.099 6 K HN 0.148 8.398 8.250 -0.000 0.000 0.438 7 V N 1.559 121.470 119.914 -0.004 0.000 2.481 7 V HA 0.415 4.537 4.120 0.004 0.000 0.286 7 V C 0.473 176.595 176.094 0.046 0.000 1.042 7 V CA -0.736 61.579 62.300 0.024 0.000 0.928 7 V CB 1.601 33.447 31.823 0.038 0.000 0.986 7 V HN 0.951 9.141 8.190 -0.000 0.000 0.462 8 G N 2.683 111.513 108.800 0.050 0.000 2.370 8 G HA2 0.523 4.485 3.960 0.004 0.000 0.317 8 G HA3 0.523 4.485 3.960 0.004 0.000 0.317 8 G C -1.095 173.847 174.900 0.070 0.000 1.162 8 G CA -0.386 44.753 45.100 0.066 0.000 0.922 8 G HN 0.592 8.882 8.290 -0.000 0.000 0.454 9 V N 5.204 125.166 119.914 0.081 0.000 2.357 9 V HA 0.416 4.538 4.120 0.004 0.000 0.284 9 V C -0.004 176.113 176.094 0.038 0.000 1.018 9 V CA -0.855 61.476 62.300 0.052 0.000 0.841 9 V CB 1.036 32.885 31.823 0.042 0.000 0.991 9 V HN 0.595 8.785 8.190 -0.000 0.000 0.437 10 L N 7.781 129.014 121.223 0.016 0.000 2.342 10 L HA 0.677 5.020 4.340 0.004 0.000 0.285 10 L C 0.709 177.514 176.870 -0.108 0.000 1.095 10 L CA 0.648 55.509 54.840 0.035 0.000 0.843 10 L CB 0.375 42.460 42.059 0.044 0.000 1.201 10 L HN 0.956 9.186 8.230 -0.000 0.000 0.445 11 G N 2.095 110.859 108.800 -0.060 0.000 2.841 11 G HA2 0.161 4.124 3.960 0.004 0.000 0.684 11 G HA3 0.161 4.124 3.960 0.004 0.000 0.684 11 G C -0.229 174.594 174.900 -0.130 0.000 1.273 11 G CA -0.479 44.450 45.100 -0.284 0.000 0.811 11 G HN 0.780 9.070 8.290 -0.000 0.000 0.631 12 G N 0.327 109.073 108.800 -0.089 0.000 4.803 12 G HA2 0.717 4.679 3.960 0.004 0.000 0.266 12 G HA3 0.717 4.679 3.960 0.004 0.000 0.266 12 G C 0.682 175.523 174.900 -0.100 0.000 1.111 12 G CA 0.984 46.030 45.100 -0.091 0.000 0.874 12 G HN 1.374 9.664 8.290 -0.000 0.000 0.555 13 G N 0.140 108.861 108.800 -0.132 0.000 2.509 13 G HA2 0.367 4.329 3.960 0.004 0.000 0.269 13 G HA3 0.367 4.329 3.960 0.004 0.000 0.269 13 G C 1.265 176.036 174.900 -0.214 0.000 1.416 13 G CA 0.269 45.289 45.100 -0.133 0.000 1.052 13 G HN 0.245 8.535 8.290 -0.000 0.000 0.542 14 Q N -0.626 118.979 119.800 -0.326 0.000 2.181 14 Q HA -0.090 4.252 4.340 0.004 0.000 0.205 14 Q C 2.373 178.072 176.000 -0.500 0.000 0.980 14 Q CA 1.083 56.511 55.803 -0.626 0.000 0.862 14 Q CB -0.597 27.200 28.738 -1.569 0.000 0.905 14 Q HN 0.523 8.793 8.270 -0.000 0.000 0.429 15 L N 0.588 121.612 121.223 -0.331 0.000 1.994 15 L HA -0.106 4.236 4.340 0.004 0.000 0.208 15 L C 2.595 179.390 176.870 -0.125 0.000 1.071 15 L CA 1.681 56.425 54.840 -0.159 0.000 0.745 15 L CB -1.156 40.842 42.059 -0.102 0.000 0.892 15 L HN 0.413 8.643 8.230 -0.000 0.000 0.431 16 G N -0.780 107.934 108.800 -0.143 0.000 2.422 16 G HA2 -0.259 3.703 3.960 0.004 0.000 0.218 16 G HA3 -0.259 3.703 3.960 0.004 0.000 0.218 16 G C 1.758 176.590 174.900 -0.114 0.000 1.140 16 G CA 0.385 45.429 45.100 -0.094 0.000 0.775 16 G HN 0.242 8.532 8.290 -0.000 0.000 0.545 17 R N -0.411 119.984 120.500 -0.175 0.000 2.091 17 R HA 0.046 4.388 4.340 0.004 0.000 0.238 17 R C 2.433 178.605 176.300 -0.213 0.000 1.136 17 R CA 1.355 57.355 56.100 -0.167 0.000 0.959 17 R CB -0.257 29.933 30.300 -0.184 0.000 0.856 17 R HN 0.366 8.636 8.270 -0.000 0.000 0.437 18 M N 0.097 119.470 119.600 -0.378 0.000 2.394 18 M HA -0.113 4.369 4.480 0.004 0.000 0.264 18 M C 1.905 177.956 176.300 -0.416 0.000 1.073 18 M CA 0.614 55.533 55.300 -0.636 0.000 1.111 18 M CB 0.092 31.808 32.600 -1.474 0.000 1.401 18 M HN 0.166 8.456 8.290 -0.000 0.000 0.448 19 L N -0.502 120.651 121.223 -0.116 0.000 2.109 19 L HA -0.067 4.275 4.340 0.004 0.000 0.207 19 L C 2.020 178.929 176.870 0.065 0.000 1.086 19 L CA 1.478 56.393 54.840 0.125 0.000 0.760 19 L CB -0.400 41.750 42.059 0.153 0.000 0.910 19 L HN 0.010 8.240 8.230 -0.000 0.000 0.437 20 V N -0.515 119.406 119.914 0.012 0.000 2.427 20 V HA -0.232 3.890 4.120 0.004 0.000 0.248 20 V C 2.447 178.549 176.094 0.013 0.000 1.051 20 V CA 1.642 63.960 62.300 0.031 0.000 1.048 20 V CB -0.516 31.325 31.823 0.029 0.000 0.666 20 V HN 0.468 8.658 8.190 -0.000 0.000 0.456 21 E N 0.072 120.251 120.200 -0.035 0.000 2.118 21 E HA -0.188 4.164 4.350 0.004 0.000 0.195 21 E C 2.419 179.026 176.600 0.011 0.000 0.992 21 E CA 1.625 58.008 56.400 -0.029 0.000 0.804 21 E CB -0.145 29.506 29.700 -0.082 0.000 0.741 21 E HN 0.542 8.902 8.360 -0.000 0.000 0.458 22 S N 0.522 116.242 115.700 0.034 0.000 2.355 22 S HA -0.135 4.337 4.470 0.004 0.000 0.222 22 S C 2.126 176.779 174.600 0.088 0.000 1.031 22 S CA 0.929 59.181 58.200 0.088 0.000 0.993 22 S CB -0.167 63.128 63.200 0.158 0.000 0.859 22 S HN 0.386 8.696 8.310 -0.000 0.000 0.453 23 A N 2.532 125.402 122.820 0.083 0.000 1.978 23 A HA -0.158 4.164 4.320 0.004 0.000 0.220 23 A C 1.868 179.483 177.584 0.053 0.000 1.170 23 A CA 1.502 53.582 52.037 0.072 0.000 0.636 23 A CB -0.651 18.390 19.000 0.068 0.000 0.810 23 A HN 0.425 8.575 8.150 -0.000 0.000 0.448 24 N N -0.115 118.614 118.700 0.048 0.000 2.166 24 N HA -0.113 4.629 4.740 0.004 0.000 0.186 24 N C 1.731 177.263 175.510 0.036 0.000 1.019 24 N CA 1.003 54.075 53.050 0.037 0.000 0.856 24 N CB -0.391 38.116 38.487 0.033 0.000 0.993 24 N HN 0.442 8.822 8.380 -0.000 0.000 0.426 25 R N 0.460 120.991 120.500 0.051 0.000 2.148 25 R HA 0.053 4.395 4.340 0.004 0.000 0.227 25 R C 1.596 177.947 176.300 0.085 0.000 1.103 25 R CA 0.574 56.712 56.100 0.063 0.000 0.983 25 R CB -0.240 30.101 30.300 0.069 0.000 0.874 25 R HN 0.310 8.580 8.270 -0.000 0.000 0.451 26 L N 0.029 121.307 121.223 0.093 0.000 2.607 26 L HA 0.138 4.480 4.340 0.004 0.000 0.228 26 L C -0.071 176.790 176.870 -0.014 0.000 1.123 26 L CA 0.016 54.930 54.840 0.123 0.000 0.890 26 L CB -0.291 41.895 42.059 0.213 0.000 1.103 26 L HN 0.277 8.507 8.230 -0.000 0.000 0.468 27 N N 0.850 119.537 118.700 -0.021 0.000 2.735 27 N HA -0.178 4.564 4.740 0.004 0.000 0.248 27 N C -0.184 175.256 175.510 -0.118 0.000 1.083 27 N CA 0.069 53.078 53.050 -0.070 0.000 0.703 27 N CB -0.903 37.524 38.487 -0.099 0.000 1.005 27 N HN 0.305 8.685 8.380 -0.000 0.000 0.550 28 I N 1.078 121.601 120.570 -0.078 0.000 2.359 28 I HA 0.120 4.292 4.170 0.004 0.000 0.294 28 I C 0.750 176.830 176.117 -0.061 0.000 0.987 28 I CA -0.400 60.847 61.300 -0.088 0.000 1.225 28 I CB 1.561 39.535 38.000 -0.043 0.000 1.366 28 I HN 0.109 8.319 8.210 -0.000 0.000 0.466 29 Q N 4.441 124.180 119.800 -0.102 0.000 2.288 29 Q HA 0.418 4.760 4.340 0.004 0.000 0.254 29 Q C -1.331 174.635 176.000 -0.058 0.000 0.932 29 Q CA -0.278 55.443 55.803 -0.136 0.000 0.902 29 Q CB 1.412 29.997 28.738 -0.254 0.000 1.203 29 Q HN 0.457 8.727 8.270 -0.000 0.000 0.415 30 V N 4.766 124.695 119.914 0.025 0.000 2.443 30 V HA 0.334 4.456 4.120 0.004 0.000 0.293 30 V C -0.765 175.471 176.094 0.236 0.000 1.021 30 V CA -1.076 61.298 62.300 0.123 0.000 0.848 30 V CB 1.738 33.654 31.823 0.156 0.000 0.998 30 V HN 0.775 8.965 8.190 -0.000 0.000 0.424 31 N N 3.241 122.041 118.700 0.168 0.000 2.456 31 N HA 0.597 5.339 4.740 0.004 0.000 0.288 31 N C -0.648 175.049 175.510 0.313 0.000 1.059 31 N CA -0.259 52.940 53.050 0.250 0.000 0.946 31 N CB 2.350 40.918 38.487 0.135 0.000 1.150 31 N HN 0.396 8.776 8.380 -0.000 0.000 0.479 32 V N 2.231 122.467 119.914 0.537 0.000 2.555 32 V HA 0.370 4.493 4.120 0.004 0.000 0.302 32 V C -0.286 175.890 176.094 0.138 0.000 1.038 32 V CA -0.942 61.479 62.300 0.203 0.000 0.887 32 V CB 1.871 33.660 31.823 -0.057 0.000 0.991 32 V HN 0.438 8.628 8.190 -0.000 0.000 0.434 33 L N 4.865 126.153 121.223 0.108 0.000 2.280 33 L HA 0.860 5.202 4.340 0.004 0.000 0.287 33 L C -0.619 176.339 176.870 0.146 0.000 1.023 33 L CA 0.960 55.870 54.840 0.118 0.000 0.819 33 L CB 0.647 42.786 42.059 0.134 0.000 1.212 33 L HN 0.854 9.084 8.230 -0.000 0.000 0.420 34 D N 2.837 123.299 120.400 0.104 0.000 3.038 34 D HA 0.406 5.048 4.640 0.004 0.000 0.351 34 D C -1.094 175.238 176.300 0.053 0.000 1.442 34 D CA 0.175 54.255 54.000 0.133 0.000 0.802 34 D CB 1.065 41.941 40.800 0.127 0.000 1.406 34 D HN 0.707 9.077 8.370 -0.000 0.000 0.488 35 A N 0.212 123.061 122.820 0.047 0.000 2.346 35 A HA 0.387 4.709 4.320 0.004 0.000 0.255 35 A C -0.119 177.457 177.584 -0.013 0.000 1.113 35 A CA 0.120 52.165 52.037 0.013 0.000 0.798 35 A CB -0.073 18.937 19.000 0.017 0.000 1.073 35 A HN 0.412 8.562 8.150 -0.000 0.000 0.502 36 D N -0.053 120.338 120.400 -0.015 0.000 2.341 36 D HA 0.174 4.816 4.640 0.004 0.000 0.245 36 D C 0.709 176.987 176.300 -0.037 0.000 1.106 36 D CA 0.640 54.622 54.000 -0.030 0.000 0.905 36 D CB 0.473 41.265 40.800 -0.014 0.000 1.202 36 D HN 0.668 9.038 8.370 -0.000 0.000 0.426 37 N N -0.280 118.387 118.700 -0.056 0.000 2.828 37 N HA -0.205 4.537 4.740 0.004 0.000 0.248 37 N C -0.635 174.846 175.510 -0.047 0.000 1.044 37 N CA 0.064 53.086 53.050 -0.046 0.000 0.851 37 N CB -0.348 38.126 38.487 -0.022 0.000 1.136 37 N HN 0.195 8.575 8.380 -0.000 0.000 0.572 38 S N 0.271 115.931 115.700 -0.067 0.000 2.576 38 S HA 0.065 4.537 4.470 0.004 0.000 0.272 38 S C -1.199 173.357 174.600 -0.074 0.000 1.352 38 S CA -0.938 57.227 58.200 -0.057 0.000 1.021 38 S CB 1.091 64.242 63.200 -0.083 0.000 0.887 38 S HN 0.112 8.422 8.310 -0.000 0.000 0.542 39 P HA -0.183 4.237 4.420 -0.000 0.000 0.216 39 P C 1.205 178.452 177.300 -0.088 0.000 1.157 39 P CA 1.771 64.836 63.100 -0.058 0.000 0.880 39 P CB 0.069 31.731 31.700 -0.064 0.000 0.791 40 A N -0.872 121.878 122.820 -0.117 0.000 1.929 40 A HA -0.170 4.153 4.320 0.004 0.000 0.216 40 A C 2.080 179.565 177.584 -0.167 0.000 1.176 40 A CA 1.476 53.439 52.037 -0.124 0.000 0.628 40 A CB -0.851 18.081 19.000 -0.114 0.000 0.816 40 A HN 0.129 8.279 8.150 -0.000 0.000 0.444 41 K N -0.448 119.786 120.400 -0.277 0.000 2.155 41 K HA -0.102 4.220 4.320 0.004 0.000 0.203 41 K C 2.090 178.574 176.600 -0.194 0.000 1.052 41 K CA 1.185 57.189 56.287 -0.471 0.000 0.948 41 K CB -0.150 32.062 32.500 -0.481 0.000 0.728 41 K HN 0.560 8.810 8.250 -0.000 0.000 0.448 42 Q N 0.382 120.108 119.800 -0.123 0.000 2.368 42 Q HA -0.136 4.206 4.340 0.004 0.000 0.210 42 Q C 1.395 177.373 176.000 -0.036 0.000 0.982 42 Q CA 1.080 56.845 55.803 -0.063 0.000 0.884 42 Q CB -0.050 28.659 28.738 -0.049 0.000 0.933 42 Q HN 0.510 8.780 8.270 -0.000 0.000 0.460 43 I N -4.444 116.107 120.570 -0.031 0.000 3.817 43 I HA 0.320 4.492 4.170 0.004 0.000 0.325 43 I C 0.234 176.365 176.117 0.023 0.000 1.550 43 I CA -0.336 60.959 61.300 -0.007 0.000 1.100 43 I CB 1.103 39.094 38.000 -0.015 0.000 1.216 43 I HN -0.201 8.009 8.210 -0.000 0.000 0.481 44 S N 1.989 117.713 115.700 0.041 0.000 2.235 44 S HA 0.594 5.066 4.470 0.004 0.000 0.152 44 S C 0.477 175.102 174.600 0.042 0.000 1.649 44 S CA -0.194 58.073 58.200 0.112 0.000 1.277 44 S CB 0.349 63.685 63.200 0.227 0.000 1.299 44 S HN 0.435 8.745 8.310 -0.000 0.000 0.388 45 A N 3.674 126.514 122.820 0.035 0.000 2.993 45 A HA 0.485 4.808 4.320 0.004 0.000 0.281 45 A C 0.261 177.868 177.584 0.038 0.000 1.847 45 A CA 0.215 52.259 52.037 0.012 0.000 1.470 45 A CB -1.084 17.930 19.000 0.022 0.000 1.028 45 A HN 1.021 9.171 8.150 -0.000 0.000 0.604 46 H N -1.563 117.504 119.070 -0.005 0.000 2.959 46 H HA 0.650 5.208 4.556 0.003 0.000 0.296 46 H C -0.387 174.888 175.328 -0.088 0.000 1.421 46 H CA -0.533 55.471 56.048 -0.074 0.000 1.206 46 H CB 0.858 30.541 29.762 -0.130 0.000 1.891 46 H HN 0.155 8.435 8.280 -0.000 0.000 0.573 47 D N -0.710 119.768 120.400 0.130 0.000 2.424 47 D HA 0.151 4.793 4.640 0.004 0.000 0.220 47 D C 0.882 177.229 176.300 0.079 0.000 1.150 47 D CA 0.225 54.263 54.000 0.063 0.000 0.831 47 D CB -0.004 40.821 40.800 0.041 0.000 0.981 47 D HN 0.774 9.144 8.370 -0.000 0.000 0.500 48 G N -0.268 108.646 108.800 0.190 0.000 3.088 48 G HA2 -0.036 3.926 3.960 0.004 0.000 0.217 48 G HA3 -0.036 3.926 3.960 0.004 0.000 0.217 48 G C 0.600 175.529 174.900 0.048 0.000 1.159 48 G CA -0.241 44.911 45.100 0.087 0.000 0.760 48 G HN 0.228 8.518 8.290 -0.000 0.000 0.550 49 H N -0.161 118.967 119.070 0.097 0.000 2.679 49 H HA 0.319 4.877 4.556 0.003 0.000 0.369 49 H C -0.356 174.991 175.328 0.031 0.000 1.178 49 H CA -0.042 56.024 56.048 0.031 0.000 1.419 49 H CB 1.710 31.433 29.762 -0.066 0.000 1.458 49 H HN -0.152 8.128 8.280 -0.000 0.000 0.605 50 V N 2.644 122.668 119.914 0.183 0.000 2.378 50 V HA 0.089 4.211 4.120 0.004 0.000 0.288 50 V C 0.413 176.552 176.094 0.076 0.000 1.016 50 V CA -0.724 61.638 62.300 0.104 0.000 0.840 50 V CB 1.575 33.450 31.823 0.088 0.000 0.994 50 V HN 0.753 8.943 8.190 -0.000 0.000 0.431 51 T N 4.526 119.112 114.554 0.053 0.000 2.851 51 T HA 0.609 4.961 4.350 0.004 0.000 0.298 51 T C 0.503 175.214 174.700 0.020 0.000 0.977 51 T CA 0.958 63.076 62.100 0.030 0.000 1.126 51 T CB 0.759 69.640 68.868 0.022 0.000 0.916 51 T HN 1.358 9.598 8.240 -0.000 0.000 0.529 52 G N 1.833 110.639 108.800 0.009 0.000 2.359 52 G HA2 0.251 4.213 3.960 0.004 0.000 0.303 52 G HA3 0.251 4.213 3.960 0.004 0.000 0.303 52 G C -0.748 174.132 174.900 -0.034 0.000 1.293 52 G CA -0.467 44.625 45.100 -0.013 0.000 0.964 52 G HN 0.788 9.078 8.290 -0.000 0.000 0.531 53 S N -1.035 114.602 115.700 -0.105 0.000 2.541 53 S HA 0.637 5.109 4.470 0.004 0.000 0.283 53 S C 1.396 175.851 174.600 -0.240 0.000 1.196 53 S CA 0.167 58.196 58.200 -0.286 0.000 1.062 53 S CB 0.527 63.479 63.200 -0.413 0.000 1.009 53 S HN 1.436 9.746 8.310 -0.000 0.000 0.502 54 F N 2.425 122.390 119.950 0.024 0.000 2.641 54 F HA 0.341 4.870 4.527 0.004 0.000 0.298 54 F C 1.451 177.276 175.800 0.041 0.000 1.146 54 F CA 0.276 58.292 58.000 0.026 0.000 1.464 54 F CB -0.437 38.572 39.000 0.014 0.000 1.101 54 F HN 0.467 8.767 8.300 -0.000 0.000 0.585 55 K N 0.990 121.180 120.400 -0.350 0.000 2.372 55 K HA 0.057 4.380 4.320 0.004 0.000 0.200 55 K C 0.141 176.695 176.600 -0.077 0.000 1.022 55 K CA 0.009 56.222 56.287 -0.124 0.000 1.125 55 K CB 0.152 32.526 32.500 -0.210 0.000 0.855 55 K HN 0.423 8.673 8.250 -0.000 0.000 0.524 56 E N 1.395 121.546 120.200 -0.083 0.000 2.114 56 E HA 0.083 4.435 4.350 0.004 0.000 0.266 56 E C 0.654 177.248 176.600 -0.010 0.000 0.896 56 E CA -0.500 55.871 56.400 -0.048 0.000 0.750 56 E CB 1.142 30.803 29.700 -0.065 0.000 1.121 56 E HN -0.102 8.258 8.360 -0.000 0.000 0.413 57 R N 3.482 123.983 120.500 0.001 0.000 2.191 57 R HA -0.260 4.082 4.340 0.004 0.000 0.248 57 R C 1.327 177.632 176.300 0.007 0.000 1.127 57 R CA 2.552 58.658 56.100 0.010 0.000 0.943 57 R CB -0.207 30.095 30.300 0.003 0.000 0.891 57 R HN 0.625 8.895 8.270 -0.000 0.000 0.439 58 E N -0.398 119.802 120.200 0.000 0.000 2.208 58 E HA -0.010 4.342 4.350 0.004 0.000 0.193 58 E C 1.865 178.470 176.600 0.008 0.000 0.988 58 E CA 1.185 57.586 56.400 0.002 0.000 0.828 58 E CB -0.358 29.341 29.700 -0.002 0.000 0.763 58 E HN 0.508 8.868 8.360 -0.000 0.000 0.478 59 A N 0.807 123.632 122.820 0.008 0.000 1.933 59 A HA -0.118 4.204 4.320 0.004 0.000 0.218 59 A C 2.549 180.154 177.584 0.035 0.000 1.175 59 A CA 1.272 53.320 52.037 0.018 0.000 0.628 59 A CB -0.507 18.499 19.000 0.010 0.000 0.814 59 A HN 0.139 8.289 8.150 -0.000 0.000 0.444 60 V N 0.107 120.043 119.914 0.037 0.000 2.379 60 V HA -0.234 3.889 4.120 0.004 0.000 0.245 60 V C 2.633 178.747 176.094 0.033 0.000 1.044 60 V CA 2.091 64.421 62.300 0.049 0.000 1.036 60 V CB -0.794 31.062 31.823 0.054 0.000 0.664 60 V HN 0.533 8.723 8.190 -0.000 0.000 0.453 61 R N 0.017 120.529 120.500 0.020 0.000 2.073 61 R HA -0.221 4.121 4.340 0.004 0.000 0.234 61 R C 2.382 178.692 176.300 0.017 0.000 1.134 61 R CA 1.738 57.845 56.100 0.012 0.000 0.952 61 R CB -0.454 29.848 30.300 0.003 0.000 0.850 61 R HN 0.468 8.738 8.270 -0.000 0.000 0.433 62 Q N 1.406 121.218 119.800 0.020 0.000 2.124 62 Q HA -0.160 4.182 4.340 0.004 0.000 0.202 62 Q C 1.934 177.952 176.000 0.030 0.000 0.977 62 Q CA 1.379 57.195 55.803 0.022 0.000 0.850 62 Q CB -0.261 28.491 28.738 0.024 0.000 0.901 62 Q HN 0.279 8.549 8.270 -0.000 0.000 0.429 63 L N -0.042 121.205 121.223 0.040 0.000 2.056 63 L HA 0.034 4.376 4.340 0.004 0.000 0.207 63 L C 2.124 179.019 176.870 0.042 0.000 1.078 63 L CA 2.153 57.024 54.840 0.051 0.000 0.749 63 L CB -0.961 41.138 42.059 0.067 0.000 0.901 63 L HN 0.261 8.491 8.230 -0.000 0.000 0.433 64 A N -0.671 122.171 122.820 0.036 0.000 1.930 64 A HA -0.150 4.172 4.320 0.004 0.000 0.217 64 A C 2.011 179.608 177.584 0.022 0.000 1.175 64 A CA 1.327 53.382 52.037 0.031 0.000 0.627 64 A CB -0.507 18.509 19.000 0.027 0.000 0.815 64 A HN 0.482 8.632 8.150 -0.000 0.000 0.443 65 K N 0.284 120.695 120.400 0.018 0.000 2.574 65 K HA -0.054 4.269 4.320 0.004 0.000 0.193 65 K C 0.745 177.351 176.600 0.010 0.000 1.035 65 K CA 1.369 57.663 56.287 0.012 0.000 0.982 65 K CB -0.374 32.131 32.500 0.009 0.000 0.795 65 K HN 0.704 8.954 8.250 -0.000 0.000 0.491 66 T N -3.484 111.078 114.554 0.014 0.000 3.111 66 T HA 0.197 4.549 4.350 0.004 0.000 0.284 66 T C 0.449 175.152 174.700 0.004 0.000 0.983 66 T CA -0.587 61.518 62.100 0.007 0.000 0.900 66 T CB -0.289 68.585 68.868 0.010 0.000 1.132 66 T HN -0.013 8.227 8.240 -0.000 0.000 0.531 67 C N 1.769 121.075 119.300 0.011 0.000 2.391 67 C HA 0.544 5.006 4.460 0.004 0.000 0.339 67 C C 1.220 176.215 174.990 0.007 0.000 1.205 67 C CA -0.512 58.513 59.018 0.011 0.000 1.937 67 C CB 1.548 29.304 27.740 0.026 0.000 2.341 67 C HN 0.471 8.701 8.230 -0.000 0.000 0.516 68 D N 0.174 120.575 120.400 0.002 0.000 2.240 68 D HA 0.077 4.719 4.640 0.004 0.000 0.206 68 D C 0.174 176.481 176.300 0.012 0.000 0.963 68 D CA 1.240 55.242 54.000 0.003 0.000 0.863 68 D CB 0.662 41.459 40.800 -0.005 0.000 0.973 68 D HN 0.316 8.686 8.370 -0.000 0.000 0.501 69 V N 0.315 120.238 119.914 0.015 0.000 3.049 69 V HA 0.454 4.577 4.120 0.004 0.000 0.309 69 V C -1.590 174.522 176.094 0.031 0.000 1.148 69 V CA -0.835 61.478 62.300 0.022 0.000 0.990 69 V CB 2.707 34.536 31.823 0.011 0.000 1.039 69 V HN -0.178 8.012 8.190 -0.000 0.000 0.430 70 V N 4.808 124.746 119.914 0.041 0.000 2.588 70 V HA 0.890 5.013 4.120 0.004 0.000 0.304 70 V C -0.442 175.685 176.094 0.055 0.000 1.042 70 V CA 0.666 62.997 62.300 0.050 0.000 0.877 70 V CB 1.928 33.785 31.823 0.055 0.000 0.996 70 V HN 1.171 9.361 8.190 -0.000 0.000 0.425 71 T N 4.288 118.877 114.554 0.059 0.000 2.693 71 T HA 0.927 5.279 4.350 0.004 0.000 0.278 71 T C -0.782 173.930 174.700 0.020 0.000 0.994 71 T CA 0.065 62.205 62.100 0.067 0.000 1.033 71 T CB 1.811 70.772 68.868 0.155 0.000 1.342 71 T HN 1.638 9.878 8.240 -0.000 0.000 0.538 72 A N 0.666 123.468 122.820 -0.031 0.000 2.515 72 A HA 0.681 5.003 4.320 0.004 0.000 0.298 72 A C -0.304 177.154 177.584 -0.209 0.000 1.059 72 A CA -0.554 51.408 52.037 -0.124 0.000 0.698 72 A CB 1.483 20.399 19.000 -0.141 0.000 1.289 72 A HN 0.886 9.036 8.150 -0.000 0.000 0.404 73 E N 0.988 121.039 120.200 -0.248 0.000 2.538 73 E HA 0.520 4.872 4.350 0.004 0.000 0.207 73 E C -0.118 176.269 176.600 -0.355 0.000 1.002 73 E CA 0.003 56.241 56.400 -0.271 0.000 0.952 73 E CB 0.651 30.226 29.700 -0.208 0.000 1.031 73 E HN 0.529 8.889 8.360 -0.000 0.000 0.476 74 I N -0.189 120.129 120.570 -0.420 0.000 2.841 74 I HA 0.226 4.398 4.170 0.004 0.000 0.298 74 I C -0.189 175.664 176.117 -0.441 0.000 1.304 74 I CA -0.667 60.330 61.300 -0.505 0.000 1.019 74 I CB 2.394 39.980 38.000 -0.691 0.000 1.282 74 I HN -0.162 8.048 8.210 -0.000 0.000 0.432 75 E N 2.852 122.735 120.200 -0.528 0.000 2.158 75 E HA -0.005 4.347 4.350 0.004 0.000 0.191 75 E C 0.084 176.442 176.600 -0.404 0.000 0.982 75 E CA 0.810 56.896 56.400 -0.523 0.000 0.823 75 E CB 0.186 29.462 29.700 -0.707 0.000 0.766 75 E HN 0.425 8.785 8.360 -0.000 0.000 0.468 76 H N 0.501 119.594 119.070 0.038 0.000 2.799 76 H HA 0.147 4.705 4.556 0.004 0.000 0.225 76 H C 0.050 175.566 175.328 0.313 0.000 1.904 76 H CA -0.148 56.006 56.048 0.177 0.000 1.344 76 H CB -1.181 28.721 29.762 0.232 0.000 1.744 76 H HN -0.010 8.270 8.280 -0.000 0.000 0.542 77 V N -1.455 118.630 119.914 0.284 0.000 3.096 77 V HA 0.289 4.411 4.120 0.004 0.000 0.319 77 V C 0.386 176.612 176.094 0.220 0.000 1.103 77 V CA -1.209 61.289 62.300 0.330 0.000 1.016 77 V CB 2.589 34.524 31.823 0.186 0.000 1.090 77 V HN 0.188 8.378 8.190 -0.000 0.000 0.449 78 D N 1.974 122.482 120.400 0.181 0.000 2.383 78 D HA 0.148 4.790 4.640 0.004 0.000 0.245 78 D C 1.396 177.759 176.300 0.104 0.000 1.263 78 D CA 0.664 54.759 54.000 0.158 0.000 0.936 78 D CB 1.145 42.016 40.800 0.118 0.000 1.053 78 D HN 0.972 9.342 8.370 -0.000 0.000 0.507 79 T N 1.062 115.660 114.554 0.073 0.000 3.118 79 T HA -0.092 4.260 4.350 0.004 0.000 0.260 79 T C 1.495 175.965 174.700 -0.383 0.000 1.139 79 T CA 0.596 62.649 62.100 -0.078 0.000 1.085 79 T CB -0.327 68.536 68.868 -0.008 0.000 0.934 79 T HN 0.311 8.551 8.240 -0.000 0.000 0.518 80 Y N 1.608 121.844 120.300 -0.106 0.000 2.269 80 Y HA 0.407 4.959 4.550 0.004 0.000 0.294 80 Y C 2.984 178.762 175.900 -0.203 0.000 1.120 80 Y CA 0.543 58.534 58.100 -0.182 0.000 1.159 80 Y CB -0.741 37.667 38.460 -0.087 0.000 1.024 80 Y HN 0.313 8.593 8.280 -0.000 0.000 0.532 81 A N 0.101 122.928 122.820 0.011 0.000 1.969 81 A HA -0.115 4.207 4.320 0.004 0.000 0.218 81 A C 2.135 179.649 177.584 -0.117 0.000 1.169 81 A CA 1.374 53.389 52.037 -0.035 0.000 0.635 81 A CB -1.046 17.960 19.000 0.009 0.000 0.810 81 A HN 0.464 8.614 8.150 -0.000 0.000 0.445 82 L N -0.867 120.259 121.223 -0.162 0.000 2.027 82 L HA -0.191 4.151 4.340 0.004 0.000 0.206 82 L C 2.593 179.185 176.870 -0.463 0.000 1.074 82 L CA 1.803 56.526 54.840 -0.195 0.000 0.745 82 L CB -0.616 41.410 42.059 -0.056 0.000 0.898 82 L HN 0.585 8.815 8.230 -0.000 0.000 0.433 83 E N 0.604 120.226 120.200 -0.962 0.000 2.097 83 E HA -0.286 4.066 4.350 0.004 0.000 0.196 83 E C 2.019 178.333 176.600 -0.477 0.000 1.000 83 E CA 1.553 57.193 56.400 -1.266 0.000 0.804 83 E CB 0.016 28.872 29.700 -1.406 0.000 0.740 83 E HN 0.438 8.798 8.360 -0.000 0.000 0.454 84 E N -0.279 119.729 120.200 -0.320 0.000 2.048 84 E HA -0.222 4.130 4.350 0.004 0.000 0.202 84 E C 2.148 178.690 176.600 -0.095 0.000 1.021 84 E CA 2.174 58.483 56.400 -0.153 0.000 0.825 84 E CB -0.083 29.559 29.700 -0.097 0.000 0.756 84 E HN 0.397 8.757 8.360 -0.000 0.000 0.454 85 V N -1.563 118.301 119.914 -0.084 0.000 3.510 85 V HA 0.074 4.196 4.120 0.004 0.000 0.270 85 V C 2.057 178.149 176.094 -0.004 0.000 1.201 85 V CA 0.960 63.241 62.300 -0.032 0.000 1.166 85 V CB -0.608 31.205 31.823 -0.016 0.000 0.825 85 V HN 0.220 8.410 8.190 -0.000 0.000 0.484 86 A N 1.947 124.761 122.820 -0.011 0.000 1.940 86 A HA -0.247 4.075 4.320 0.004 0.000 0.221 86 A C 2.488 180.118 177.584 0.077 0.000 1.190 86 A CA 2.831 54.917 52.037 0.082 0.000 0.647 86 A CB -1.066 18.044 19.000 0.183 0.000 0.821 86 A HN 0.734 8.884 8.150 -0.000 0.000 0.457 87 S N 0.174 115.902 115.700 0.047 0.000 2.351 87 S HA -0.225 4.247 4.470 0.004 0.000 0.220 87 S C 1.761 176.382 174.600 0.035 0.000 1.035 87 S CA 1.693 59.917 58.200 0.041 0.000 1.031 87 S CB -0.535 62.681 63.200 0.026 0.000 0.928 87 S HN 0.676 8.986 8.310 -0.000 0.000 0.433 88 E N 0.663 120.878 120.200 0.026 0.000 2.110 88 E HA 0.021 4.373 4.350 0.004 0.000 0.193 88 E C 0.301 176.917 176.600 0.027 0.000 0.988 88 E CA 0.752 57.165 56.400 0.022 0.000 0.804 88 E CB -0.031 29.678 29.700 0.015 0.000 0.745 88 E HN 0.365 8.725 8.360 -0.000 0.000 0.458 89 V N -0.112 119.824 119.914 0.036 0.000 3.102 89 V HA 0.287 4.409 4.120 0.004 0.000 0.312 89 V C -0.257 175.870 176.094 0.054 0.000 1.135 89 V CA -1.260 61.064 62.300 0.039 0.000 1.022 89 V CB 2.180 34.023 31.823 0.033 0.000 1.056 89 V HN -0.122 8.068 8.190 -0.000 0.000 0.436 90 K N 1.625 122.053 120.400 0.046 0.000 2.270 90 K HA 0.637 4.959 4.320 0.004 0.000 0.276 90 K C -1.082 175.555 176.600 0.060 0.000 1.023 90 K CA -0.020 56.295 56.287 0.048 0.000 0.955 90 K CB 0.753 33.271 32.500 0.030 0.000 0.975 90 K HN 0.469 8.719 8.250 -0.000 0.000 0.471 91 I N 2.890 123.505 120.570 0.074 0.000 2.500 91 I HA 0.195 4.367 4.170 0.004 0.000 0.286 91 I C -0.812 175.343 176.117 0.064 0.000 1.063 91 I CA -0.574 60.780 61.300 0.089 0.000 1.062 91 I CB 1.788 39.886 38.000 0.163 0.000 1.223 91 I HN 0.454 8.664 8.210 -0.000 0.000 0.435 92 E N 7.684 127.911 120.200 0.045 0.000 2.246 92 E HA 0.417 4.769 4.350 0.004 0.000 0.266 92 E C -2.598 174.027 176.600 0.042 0.000 0.880 92 E CA -1.622 54.796 56.400 0.031 0.000 0.762 92 E CB 2.950 32.650 29.700 -0.001 0.000 1.180 92 E HN 0.231 8.591 8.360 -0.000 0.000 0.416 93 P HA -0.013 4.407 4.420 -0.000 0.000 0.277 93 P C 0.136 177.447 177.300 0.017 0.000 1.276 93 P CA -0.354 62.767 63.100 0.036 0.000 0.788 93 P CB 0.484 32.187 31.700 0.004 0.000 1.114 94 S N 0.474 116.167 115.700 -0.010 0.000 2.558 94 S HA -0.029 4.443 4.470 0.004 0.000 0.288 94 S C 1.491 176.010 174.600 -0.134 0.000 1.318 94 S CA -0.620 57.500 58.200 -0.133 0.000 1.056 94 S CB -0.398 62.661 63.200 -0.235 0.000 0.853 94 S HN 0.682 8.992 8.310 -0.000 0.000 0.505 95 W N 2.264 123.554 121.300 -0.017 0.000 2.519 95 W HA -0.038 4.624 4.660 0.003 0.000 0.266 95 W C 1.257 177.742 176.519 -0.057 0.000 1.253 95 W CA 0.499 57.816 57.345 -0.047 0.000 1.274 95 W CB -1.162 28.259 29.460 -0.065 0.000 1.114 95 W HN 0.686 8.866 8.180 -0.000 0.000 0.596 96 Q N 1.701 120.982 119.800 -0.864 0.000 2.020 96 Q HA -0.095 4.247 4.340 0.004 0.000 0.202 96 Q C 2.856 178.742 176.000 -0.190 0.000 0.982 96 Q CA 2.967 58.387 55.803 -0.639 0.000 0.838 96 Q CB -0.855 27.353 28.738 -0.883 0.000 0.899 96 Q HN 0.260 8.530 8.270 -0.000 0.000 0.423 97 A N 0.529 123.263 122.820 -0.144 0.000 1.903 97 A HA -0.250 4.072 4.320 0.004 0.000 0.219 97 A C 2.075 179.644 177.584 -0.026 0.000 1.191 97 A CA 1.827 53.881 52.037 0.028 0.000 0.638 97 A CB -0.880 18.173 19.000 0.088 0.000 0.823 97 A HN 0.378 8.528 8.150 -0.000 0.000 0.451 98 I N -1.097 119.455 120.570 -0.031 0.000 2.361 98 I HA -0.208 3.964 4.170 0.004 0.000 0.251 98 I C 2.597 178.720 176.117 0.010 0.000 1.133 98 I CA 1.512 62.790 61.300 -0.037 0.000 1.413 98 I CB -0.235 37.762 38.000 -0.005 0.000 1.073 98 I HN 0.350 8.560 8.210 -0.000 0.000 0.424 99 R N 0.214 120.748 120.500 0.057 0.000 2.066 99 R HA -0.139 4.203 4.340 0.004 0.000 0.232 99 R C 2.187 178.531 176.300 0.073 0.000 1.131 99 R CA 1.967 58.115 56.100 0.080 0.000 0.955 99 R CB -0.257 30.108 30.300 0.108 0.000 0.851 99 R HN 0.263 8.533 8.270 -0.000 0.000 0.432 100 T N 1.185 115.769 114.554 0.051 0.000 2.821 100 T HA -0.037 4.315 4.350 0.004 0.000 0.267 100 T C 1.821 176.568 174.700 0.078 0.000 1.046 100 T CA 1.174 63.314 62.100 0.068 0.000 1.139 100 T CB -0.040 68.859 68.868 0.053 0.000 0.871 100 T HN 0.192 8.432 8.240 -0.000 0.000 0.454 101 I N 2.023 122.608 120.570 0.025 0.000 2.315 101 I HA -0.192 3.980 4.170 0.004 0.000 0.248 101 I C 2.933 179.048 176.117 -0.003 0.000 1.117 101 I CA 1.185 62.463 61.300 -0.035 0.000 1.404 101 I CB -0.663 37.223 38.000 -0.191 0.000 1.071 101 I HN 0.449 8.659 8.210 -0.000 0.000 0.419 102 Q N 0.906 120.712 119.800 0.010 0.000 2.297 102 Q HA -0.197 4.145 4.340 0.004 0.000 0.208 102 Q C 0.896 177.004 176.000 0.181 0.000 0.981 102 Q CA 1.221 57.062 55.803 0.063 0.000 0.876 102 Q CB -0.386 28.410 28.738 0.096 0.000 0.921 102 Q HN 0.365 8.635 8.270 -0.000 0.000 0.446 103 N N 0.823 119.609 118.700 0.142 0.000 2.558 103 N HA 0.097 4.839 4.740 0.004 0.000 0.242 103 N C -0.050 175.527 175.510 0.112 0.000 0.979 103 N CA -0.185 52.956 53.050 0.153 0.000 0.931 103 N CB 1.029 39.605 38.487 0.149 0.000 1.122 103 N HN 0.152 8.532 8.380 -0.000 0.000 0.508 104 K N 1.927 122.402 120.400 0.125 0.000 2.218 104 K HA -0.178 4.144 4.320 0.004 0.000 0.205 104 K C 1.266 177.791 176.600 -0.126 0.000 1.046 104 K CA 1.250 57.578 56.287 0.069 0.000 0.933 104 K CB -0.020 32.604 32.500 0.208 0.000 0.728 104 K HN 0.471 8.721 8.250 -0.000 0.000 0.454 105 F N 2.491 122.187 119.950 -0.423 0.000 2.187 105 F HA -0.047 4.483 4.527 0.004 0.000 0.295 105 F C 1.693 177.360 175.800 -0.221 0.000 1.091 105 F CA 1.023 58.653 58.000 -0.618 0.000 1.308 105 F CB -0.031 38.535 39.000 -0.724 0.000 1.030 105 F HN -0.035 8.265 8.300 -0.000 0.000 0.487 106 N N 0.637 119.327 118.700 -0.018 0.000 2.188 106 N HA -0.205 4.537 4.740 0.004 0.000 0.184 106 N C 1.895 177.402 175.510 -0.005 0.000 1.018 106 N CA 1.304 54.344 53.050 -0.016 0.000 0.858 106 N CB -0.847 37.696 38.487 0.094 0.000 0.989 106 N HN 0.537 8.917 8.380 -0.000 0.000 0.426 107 Q N 1.555 121.370 119.800 0.026 0.000 2.045 107 Q HA -0.169 4.173 4.340 0.004 0.000 0.206 107 Q C 1.371 177.422 176.000 0.086 0.000 0.991 107 Q CA 1.498 57.364 55.803 0.105 0.000 0.851 107 Q CB 0.038 28.825 28.738 0.082 0.000 0.911 107 Q HN 0.269 8.539 8.270 -0.000 0.000 0.418 108 K N -0.022 120.352 120.400 -0.042 0.000 2.057 108 K HA -0.133 4.189 4.320 0.004 0.000 0.207 108 K C 2.007 178.578 176.600 -0.050 0.000 1.049 108 K CA 1.061 57.333 56.287 -0.027 0.000 0.931 108 K CB -0.122 32.329 32.500 -0.081 0.000 0.714 108 K HN 0.252 8.502 8.250 -0.000 0.000 0.440 109 E N 0.784 120.870 120.200 -0.190 0.000 2.097 109 E HA -0.226 4.126 4.350 0.004 0.000 0.196 109 E C 1.917 178.517 176.600 0.001 0.000 1.000 109 E CA 1.460 57.775 56.400 -0.142 0.000 0.804 109 E CB -0.462 29.087 29.700 -0.253 0.000 0.740 109 E HN 0.480 8.840 8.360 -0.000 0.000 0.454 110 H N -0.316 118.741 119.070 -0.022 0.000 2.546 110 H HA 0.093 4.651 4.556 0.003 0.000 0.277 110 H C 1.844 177.222 175.328 0.083 0.000 1.004 110 H CA 0.670 56.734 56.048 0.026 0.000 1.231 110 H CB -0.024 29.739 29.762 0.002 0.000 1.382 110 H HN 0.055 8.335 8.280 -0.000 0.000 0.580 111 L N -0.784 120.436 121.223 -0.005 0.000 2.357 111 L HA 0.100 4.442 4.340 0.004 0.000 0.211 111 L C 2.348 179.240 176.870 0.036 0.000 1.075 111 L CA 0.179 55.007 54.840 -0.021 0.000 0.830 111 L CB -0.083 41.998 42.059 0.037 0.000 0.996 111 L HN 0.191 8.421 8.230 -0.000 0.000 0.467 112 R N 1.115 121.623 120.500 0.013 0.000 2.127 112 R HA -0.156 4.186 4.340 0.004 0.000 0.238 112 R C 1.833 178.116 176.300 -0.028 0.000 1.134 112 R CA 1.125 57.223 56.100 -0.002 0.000 0.975 112 R CB -0.271 30.017 30.300 -0.020 0.000 0.865 112 R HN 0.462 8.732 8.270 -0.000 0.000 0.447 113 K N -0.555 119.808 120.400 -0.061 0.000 2.555 113 K HA -0.114 4.208 4.320 0.004 0.000 0.193 113 K C 0.361 176.730 176.600 -0.385 0.000 1.032 113 K CA 1.127 57.285 56.287 -0.216 0.000 1.004 113 K CB 0.074 32.394 32.500 -0.300 0.000 0.804 113 K HN 0.318 8.568 8.250 -0.000 0.000 0.496 114 Y N 0.771 120.957 120.300 -0.190 0.000 2.696 114 Y HA 0.252 4.804 4.550 0.004 0.000 0.260 114 Y C 0.988 176.823 175.900 -0.108 0.000 1.165 114 Y CA -0.238 57.764 58.100 -0.163 0.000 1.189 114 Y CB 1.012 39.348 38.460 -0.206 0.000 1.180 114 Y HN 0.267 8.547 8.280 -0.000 0.000 0.538 115 G N 1.352 110.159 108.800 0.011 0.000 2.379 115 G HA2 -0.292 3.670 3.960 0.004 0.000 0.297 115 G HA3 -0.292 3.670 3.960 0.004 0.000 0.297 115 G C -0.025 174.891 174.900 0.027 0.000 1.004 115 G CA 0.023 45.127 45.100 0.005 0.000 0.921 115 G HN 0.207 8.497 8.290 -0.000 0.000 0.511 116 I N 1.498 122.093 120.570 0.041 0.000 2.474 116 I HA 0.303 4.475 4.170 0.004 0.000 0.287 116 I C -1.379 174.758 176.117 0.033 0.000 1.048 116 I CA -2.874 58.443 61.300 0.029 0.000 1.383 116 I CB 0.850 38.862 38.000 0.020 0.000 1.412 116 I HN 0.031 8.241 8.210 -0.000 0.000 0.531 117 P HA 0.529 4.949 4.420 -0.000 0.000 0.288 117 P C -1.089 176.257 177.300 0.076 0.000 1.267 117 P CA -0.484 62.648 63.100 0.053 0.000 0.815 117 P CB 1.533 33.266 31.700 0.055 0.000 0.989 118 M N 0.070 119.732 119.600 0.104 0.000 2.949 118 M HA 0.726 5.209 4.480 0.004 0.000 0.270 118 M C -1.162 175.241 176.300 0.171 0.000 1.221 118 M CA -1.297 54.096 55.300 0.155 0.000 0.818 118 M CB 1.284 33.972 32.600 0.147 0.000 1.635 118 M HN 0.177 8.467 8.290 -0.000 0.000 0.492 119 A N 0.982 123.936 122.820 0.224 0.000 2.462 119 A HA 0.330 4.652 4.320 0.004 0.000 0.243 119 A C -0.022 177.682 177.584 0.199 0.000 1.076 119 A CA -0.005 52.149 52.037 0.195 0.000 0.773 119 A CB 0.112 19.231 19.000 0.200 0.000 1.010 119 A HN 0.855 9.005 8.150 -0.000 0.000 0.493 120 E N 1.798 122.072 120.200 0.122 0.000 2.398 120 E HA 0.290 4.642 4.350 0.004 0.000 0.263 120 E C -0.085 176.609 176.600 0.156 0.000 1.046 120 E CA -0.118 56.311 56.400 0.048 0.000 0.908 120 E CB 0.323 30.049 29.700 0.043 0.000 0.963 120 E HN 0.888 9.248 8.360 -0.000 0.000 0.431 121 H N 1.396 120.580 119.070 0.190 0.000 2.933 121 H HA 0.589 5.147 4.556 0.004 0.000 0.310 121 H C -0.931 174.558 175.328 0.269 0.000 1.351 121 H CA -1.318 54.890 56.048 0.268 0.000 1.137 121 H CB 1.085 31.129 29.762 0.470 0.000 1.853 121 H HN 0.434 8.714 8.280 -0.000 0.000 0.539 122 R N 1.264 122.074 120.500 0.517 0.000 2.508 122 R HA 0.139 4.481 4.340 0.004 0.000 0.283 122 R C -0.660 175.819 176.300 0.298 0.000 1.120 122 R CA -0.618 55.697 56.100 0.359 0.000 0.958 122 R CB 2.676 33.085 30.300 0.181 0.000 1.215 122 R HN 0.878 9.148 8.270 -0.000 0.000 0.427 123 E N 3.219 123.502 120.200 0.139 0.000 2.398 123 E HA 0.158 4.510 4.350 0.004 0.000 0.263 123 E C -0.867 175.703 176.600 -0.050 0.000 1.046 123 E CA -0.469 55.803 56.400 -0.214 0.000 0.908 123 E CB 0.702 29.927 29.700 -0.792 0.000 0.963 123 E HN 0.193 8.553 8.360 -0.000 0.000 0.431 124 L N 4.694 125.894 121.223 -0.039 0.000 2.295 124 L HA 0.170 4.512 4.340 0.004 0.000 0.285 124 L C 0.727 177.576 176.870 -0.034 0.000 1.035 124 L CA -0.250 54.584 54.840 -0.009 0.000 0.806 124 L CB 1.415 43.479 42.059 0.007 0.000 1.214 124 L HN 0.664 8.894 8.230 -0.000 0.000 0.426 125 V N 2.350 122.253 119.914 -0.019 0.000 3.235 125 V HA 0.129 4.251 4.120 0.004 0.000 0.259 125 V C 0.529 176.616 176.094 -0.011 0.000 1.133 125 V CA 0.710 62.998 62.300 -0.020 0.000 1.128 125 V CB -0.123 31.693 31.823 -0.012 0.000 0.757 125 V HN 0.922 9.112 8.190 -0.000 0.000 0.469 126 E N -0.423 119.774 120.200 -0.006 0.000 2.366 126 E HA 0.287 4.640 4.350 0.004 0.000 0.278 126 E C -1.450 175.147 176.600 -0.004 0.000 0.923 126 E CA -0.825 55.572 56.400 -0.004 0.000 0.761 126 E CB 0.842 30.542 29.700 -0.000 0.000 1.231 126 E HN 0.023 8.383 8.360 -0.000 0.000 0.443 127 N N 1.953 120.649 118.700 -0.007 0.000 3.331 127 N HA 0.102 4.844 4.740 0.004 0.000 0.303 127 N C -0.746 174.757 175.510 -0.012 0.000 1.326 127 N CA 0.100 53.144 53.050 -0.011 0.000 1.207 127 N CB 0.629 39.106 38.487 -0.017 0.000 1.477 127 N HN 0.592 8.972 8.380 -0.000 0.000 0.541 128 T N -3.144 111.408 114.554 -0.004 0.000 2.855 128 T HA 0.444 4.796 4.350 0.004 0.000 0.281 128 T C -1.989 172.715 174.700 0.006 0.000 1.007 128 T CA -2.078 60.022 62.100 -0.001 0.000 1.009 128 T CB 2.801 71.671 68.868 0.002 0.000 0.983 128 T HN -0.155 8.085 8.240 -0.000 0.000 0.455 129 P HA -0.009 4.411 4.420 -0.000 0.000 0.217 129 P C 1.656 178.971 177.300 0.025 0.000 1.150 129 P CA 1.292 64.400 63.100 0.013 0.000 0.832 129 P CB -0.169 31.534 31.700 0.005 0.000 0.787 130 A N 0.318 123.149 122.820 0.019 0.000 1.841 130 A HA -0.288 4.034 4.320 0.004 0.000 0.216 130 A C 2.341 179.944 177.584 0.031 0.000 1.199 130 A CA 1.990 54.041 52.037 0.024 0.000 0.621 130 A CB -1.598 17.413 19.000 0.018 0.000 0.835 130 A HN 0.135 8.285 8.150 -0.000 0.000 0.445 131 E N -1.020 119.196 120.200 0.025 0.000 2.114 131 E HA -0.242 4.110 4.350 0.004 0.000 0.199 131 E C 1.854 178.477 176.600 0.037 0.000 1.008 131 E CA 1.537 57.954 56.400 0.028 0.000 0.810 131 E CB -0.196 29.516 29.700 0.020 0.000 0.739 131 E HN 0.424 8.784 8.360 -0.000 0.000 0.456 132 L N 0.337 121.584 121.223 0.039 0.000 2.201 132 L HA -0.030 4.312 4.340 0.004 0.000 0.212 132 L C 2.057 178.978 176.870 0.086 0.000 1.105 132 L CA 1.765 56.638 54.840 0.055 0.000 0.775 132 L CB -0.632 41.460 42.059 0.055 0.000 0.913 132 L HN 0.079 8.309 8.230 -0.000 0.000 0.440 133 A N -0.846 122.027 122.820 0.087 0.000 1.930 133 A HA -0.201 4.121 4.320 0.004 0.000 0.217 133 A C 2.431 180.077 177.584 0.103 0.000 1.175 133 A CA 1.613 53.722 52.037 0.122 0.000 0.627 133 A CB -0.492 18.561 19.000 0.089 0.000 0.815 133 A HN 0.410 8.560 8.150 -0.000 0.000 0.443 134 K N -0.049 120.392 120.400 0.067 0.000 2.026 134 K HA -0.091 4.231 4.320 0.004 0.000 0.208 134 K C 1.895 178.521 176.600 0.043 0.000 1.048 134 K CA 1.649 57.968 56.287 0.053 0.000 0.929 134 K CB -0.348 32.177 32.500 0.042 0.000 0.713 134 K HN 0.249 8.499 8.250 -0.000 0.000 0.439 135 V N 0.868 120.806 119.914 0.039 0.000 2.332 135 V HA -0.220 3.902 4.120 0.004 0.000 0.248 135 V C 2.452 178.530 176.094 -0.026 0.000 1.055 135 V CA 2.161 64.475 62.300 0.024 0.000 1.038 135 V CB -0.892 30.951 31.823 0.034 0.000 0.651 135 V HN 0.586 8.776 8.190 -0.000 0.000 0.450 136 G N 0.669 109.446 108.800 -0.039 0.000 2.433 136 G HA2 -0.280 3.682 3.960 0.004 0.000 0.216 136 G HA3 -0.280 3.682 3.960 0.004 0.000 0.216 136 G C 1.372 176.197 174.900 -0.124 0.000 1.186 136 G CA 0.921 45.881 45.100 -0.233 0.000 0.779 136 G HN 0.720 9.010 8.290 -0.000 0.000 0.543 137 E N 0.373 120.599 120.200 0.043 0.000 2.333 137 E HA -0.149 4.203 4.350 0.004 0.000 0.198 137 E C 2.112 178.725 176.600 0.021 0.000 1.007 137 E CA 1.020 57.456 56.400 0.060 0.000 0.845 137 E CB -0.268 29.482 29.700 0.084 0.000 0.766 137 E HN 0.636 8.996 8.360 -0.000 0.000 0.507 138 Q N 0.522 120.325 119.800 0.004 0.000 2.165 138 Q HA 0.037 4.379 4.340 0.004 0.000 0.197 138 Q C 1.972 177.975 176.000 0.004 0.000 0.952 138 Q CA 0.917 56.728 55.803 0.013 0.000 0.848 138 Q CB 0.068 28.822 28.738 0.026 0.000 0.931 138 Q HN 0.326 8.596 8.270 -0.000 0.000 0.470 139 L N -0.378 120.830 121.223 -0.026 0.000 2.607 139 L HA 0.354 4.697 4.340 0.004 0.000 0.228 139 L C 0.912 177.759 176.870 -0.039 0.000 1.123 139 L CA 0.203 55.037 54.840 -0.010 0.000 0.890 139 L CB -0.099 41.975 42.059 0.024 0.000 1.103 139 L HN 0.204 8.434 8.230 -0.000 0.000 0.468 140 G N -0.597 108.130 108.800 -0.122 0.000 2.855 140 G HA2 -0.267 3.695 3.960 0.004 0.000 0.352 140 G HA3 -0.267 3.695 3.960 0.004 0.000 0.352 140 G C -0.974 173.737 174.900 -0.315 0.000 1.415 140 G CA -0.619 44.407 45.100 -0.124 0.000 0.871 140 G HN 0.041 8.331 8.290 -0.000 0.000 0.543 141 Y N 0.815 121.144 120.300 0.048 0.000 2.487 141 Y HA 0.673 5.225 4.550 0.004 0.000 0.337 141 Y C -0.914 174.959 175.900 -0.046 0.000 1.076 141 Y CA -1.124 56.977 58.100 0.002 0.000 1.115 141 Y CB 1.884 40.333 38.460 -0.019 0.000 1.235 141 Y HN 0.674 8.954 8.280 -0.000 0.000 0.468 142 P HA 0.510 4.930 4.420 -0.000 0.000 0.284 142 P C -1.569 175.718 177.300 -0.022 0.000 1.292 142 P CA -0.430 62.624 63.100 -0.076 0.000 0.800 142 P CB 1.497 32.884 31.700 -0.521 0.000 1.188 143 L N -3.132 118.171 121.223 0.133 0.000 2.403 143 L HA 0.763 5.105 4.340 0.004 0.000 0.253 143 L C -0.591 176.544 176.870 0.441 0.000 1.045 143 L CA -1.313 53.728 54.840 0.335 0.000 0.845 143 L CB 1.003 43.096 42.059 0.057 0.000 1.447 143 L HN 0.134 8.364 8.230 -0.000 0.000 0.411 144 M N 2.429 122.227 119.600 0.330 0.000 2.061 144 M HA 0.564 5.046 4.480 0.004 0.000 0.346 144 M C -1.192 175.145 176.300 0.062 0.000 1.112 144 M CA -0.776 54.643 55.300 0.199 0.000 1.021 144 M CB 0.842 33.446 32.600 0.007 0.000 1.530 144 M HN 0.705 8.995 8.290 -0.000 0.000 0.437 145 L N 6.657 127.952 121.223 0.121 0.000 2.331 145 L HA 0.551 4.893 4.340 0.004 0.000 0.278 145 L C -1.019 175.830 176.870 -0.036 0.000 1.106 145 L CA 0.646 55.509 54.840 0.038 0.000 0.824 145 L CB 0.196 42.334 42.059 0.131 0.000 1.142 145 L HN 0.691 8.921 8.230 -0.000 0.000 0.443 146 K N 3.095 123.368 120.400 -0.211 0.000 2.502 146 K HA 0.398 4.720 4.320 0.004 0.000 0.257 146 K C -1.111 175.462 176.600 -0.044 0.000 0.938 146 K CA -0.779 55.400 56.287 -0.179 0.000 0.819 146 K CB 1.888 34.166 32.500 -0.370 0.000 1.333 146 K HN 0.580 8.830 8.250 -0.000 0.000 0.434 147 S N 0.968 116.709 115.700 0.068 0.000 2.545 147 S HA 0.121 4.593 4.470 0.004 0.000 0.275 147 S C 0.703 175.455 174.600 0.253 0.000 1.299 147 S CA -0.213 58.063 58.200 0.127 0.000 1.048 147 S CB 0.891 64.136 63.200 0.076 0.000 0.938 147 S HN 0.629 8.939 8.310 -0.000 0.000 0.496 148 K N 1.584 122.146 120.400 0.270 0.000 2.155 148 K HA 0.026 4.349 4.320 0.004 0.000 0.203 148 K C 0.943 177.668 176.600 0.208 0.000 1.052 148 K CA 1.262 57.713 56.287 0.273 0.000 0.948 148 K CB -0.028 32.568 32.500 0.159 0.000 0.728 148 K HN 0.863 9.113 8.250 -0.000 0.000 0.448 149 T N -3.060 111.586 114.554 0.154 0.000 2.940 149 T HA 0.329 4.682 4.350 0.004 0.000 0.288 149 T C 0.228 174.943 174.700 0.024 0.000 1.045 149 T CA -0.843 61.338 62.100 0.135 0.000 1.018 149 T CB 1.439 70.379 68.868 0.119 0.000 1.151 149 T HN -0.029 8.211 8.240 -0.000 0.000 0.529 150 M N -1.577 117.914 119.600 -0.181 0.000 2.576 150 M HA -0.156 4.326 4.480 0.004 0.000 0.200 150 M C 0.170 176.265 176.300 -0.340 0.000 0.487 150 M CA 0.717 55.669 55.300 -0.580 0.000 0.553 150 M CB -2.995 29.488 32.600 -0.195 0.000 2.042 150 M HN 1.101 9.391 8.290 -0.000 0.000 0.758 151 A N 1.034 123.822 122.820 -0.053 0.000 2.258 151 A HA 0.761 5.083 4.320 0.004 0.000 0.316 151 A C -0.458 177.345 177.584 0.366 0.000 1.279 151 A CA -0.392 51.722 52.037 0.128 0.000 0.876 151 A CB 0.670 19.752 19.000 0.136 0.000 1.170 151 A HN 0.613 8.763 8.150 -0.000 0.000 0.520 152 Y N -1.340 119.030 120.300 0.117 0.000 2.638 152 Y HA 0.568 5.120 4.550 0.004 0.000 0.335 152 Y C -0.359 175.580 175.900 0.065 0.000 1.155 152 Y CA -1.632 56.536 58.100 0.114 0.000 1.046 152 Y CB 0.579 39.125 38.460 0.143 0.000 1.303 152 Y HN 0.576 8.856 8.280 -0.000 0.000 0.460 153 D N 1.076 121.576 120.400 0.167 0.000 2.737 153 D HA -0.141 4.501 4.640 0.004 0.000 0.233 153 D C 1.376 177.676 176.300 0.001 0.000 1.155 153 D CA 2.382 56.418 54.000 0.060 0.000 0.667 153 D CB -1.405 39.432 40.800 0.061 0.000 1.060 153 D HN 1.735 10.105 8.370 -0.000 0.000 0.427 154 G N -0.583 108.229 108.800 0.021 0.000 2.212 154 G HA2 -0.490 3.472 3.960 0.004 0.000 0.266 154 G HA3 -0.490 3.472 3.960 0.004 0.000 0.266 154 G C 1.209 176.106 174.900 -0.005 0.000 0.978 154 G CA 0.705 45.815 45.100 0.017 0.000 0.632 154 G HN 0.529 8.819 8.290 -0.000 0.000 0.537 155 R N 0.317 120.777 120.500 -0.066 0.000 2.193 155 R HA 0.051 4.393 4.340 0.004 0.000 0.229 155 R C 2.610 178.883 176.300 -0.046 0.000 1.110 155 R CA 1.306 57.345 56.100 -0.101 0.000 0.988 155 R CB -0.222 29.921 30.300 -0.262 0.000 0.871 155 R HN 0.447 8.717 8.270 -0.000 0.000 0.458 156 G N -0.475 108.319 108.800 -0.009 0.000 3.126 156 G HA2 -0.000 3.962 3.960 0.004 0.000 0.224 156 G HA3 -0.000 3.962 3.960 0.004 0.000 0.224 156 G C 0.028 174.967 174.900 0.065 0.000 1.142 156 G CA -0.345 44.772 45.100 0.029 0.000 0.759 156 G HN 0.097 8.387 8.290 -0.000 0.000 0.550 157 N N 0.067 118.812 118.700 0.074 0.000 2.508 157 N HA 0.602 5.344 4.740 0.004 0.000 0.285 157 N C -1.689 173.932 175.510 0.186 0.000 1.144 157 N CA -0.498 52.611 53.050 0.099 0.000 0.978 157 N CB 1.619 40.144 38.487 0.064 0.000 1.180 157 N HN 0.051 8.431 8.380 -0.000 0.000 0.484 158 F N 0.487 120.455 119.950 0.030 0.000 2.991 158 F HA 0.247 4.776 4.527 0.004 0.000 0.355 158 F C -0.227 175.628 175.800 0.092 0.000 1.262 158 F CA -0.857 57.173 58.000 0.050 0.000 1.127 158 F CB 0.976 39.994 39.000 0.030 0.000 1.447 158 F HN 0.291 8.591 8.300 -0.000 0.000 0.584 159 R N 4.786 125.137 120.500 -0.248 0.000 2.421 159 R HA 0.480 4.822 4.340 0.004 0.000 0.305 159 R C -1.485 174.823 176.300 0.013 0.000 1.039 159 R CA 0.082 56.173 56.100 -0.013 0.000 1.003 159 R CB 0.546 30.811 30.300 -0.058 0.000 0.959 159 R HN 0.449 8.719 8.270 -0.000 0.000 0.427 160 V N 6.435 126.486 119.914 0.228 0.000 2.293 160 V HA 0.122 4.244 4.120 0.004 0.000 0.275 160 V C 0.381 176.620 176.094 0.243 0.000 1.021 160 V CA -0.686 61.794 62.300 0.300 0.000 0.815 160 V CB 1.256 33.310 31.823 0.385 0.000 1.025 160 V HN 0.866 9.056 8.190 -0.000 0.000 0.448 161 N N 2.447 121.214 118.700 0.112 0.000 2.300 161 N HA -0.005 4.737 4.740 0.004 0.000 0.179 161 N C 0.796 176.299 175.510 -0.011 0.000 1.016 161 N CA 0.895 53.961 53.050 0.028 0.000 0.876 161 N CB 0.509 38.950 38.487 -0.078 0.000 0.979 161 N HN 0.749 9.129 8.380 -0.000 0.000 0.432 162 S N -1.310 114.282 115.700 -0.180 0.000 2.625 162 S HA 0.137 4.609 4.470 0.004 0.000 0.271 162 S C 0.454 174.686 174.600 -0.612 0.000 1.161 162 S CA -0.787 57.007 58.200 -0.677 0.000 0.820 162 S CB 2.134 65.132 63.200 -0.336 0.000 1.137 162 S HN 0.132 8.442 8.310 -0.000 0.000 0.470 163 Q N 0.215 119.569 119.800 -0.743 0.000 2.364 163 Q HA -0.151 4.191 4.340 0.004 0.000 0.209 163 Q C 0.234 176.165 176.000 -0.115 0.000 0.977 163 Q CA 1.864 57.509 55.803 -0.263 0.000 0.885 163 Q CB -0.399 28.244 28.738 -0.157 0.000 0.941 163 Q HN 0.735 9.005 8.270 -0.000 0.000 0.464 164 D N 1.424 121.746 120.400 -0.131 0.000 2.178 164 D HA -0.113 4.529 4.640 0.004 0.000 0.202 164 D C 0.741 177.027 176.300 -0.023 0.000 0.974 164 D CA 0.928 54.890 54.000 -0.064 0.000 0.841 164 D CB -0.163 40.598 40.800 -0.066 0.000 0.953 164 D HN 0.331 8.701 8.370 -0.000 0.000 0.478 165 D N 0.017 120.414 120.400 -0.005 0.000 2.358 165 D HA 0.013 4.655 4.640 0.004 0.000 0.241 165 D C 1.874 178.212 176.300 0.064 0.000 1.094 165 D CA 0.002 54.044 54.000 0.070 0.000 0.907 165 D CB 0.008 40.897 40.800 0.149 0.000 0.893 165 D HN 0.327 8.697 8.370 -0.000 0.000 0.528 166 I N 0.979 121.566 120.570 0.028 0.000 2.286 166 I HA -0.137 4.035 4.170 0.004 0.000 0.245 166 I C -0.626 175.462 176.117 -0.048 0.000 1.104 166 I CA 0.739 62.047 61.300 0.013 0.000 1.397 166 I CB -0.879 37.146 38.000 0.041 0.000 1.072 166 I HN -0.032 8.178 8.210 -0.000 0.000 0.417 167 P HA -0.226 4.194 4.420 -0.000 0.000 0.215 167 P C 1.425 178.664 177.300 -0.102 0.000 1.157 167 P CA 1.459 64.525 63.100 -0.057 0.000 0.868 167 P CB -0.042 31.639 31.700 -0.032 0.000 0.788 168 E N -0.222 119.917 120.200 -0.101 0.000 2.150 168 E HA -0.170 4.182 4.350 0.004 0.000 0.193 168 E C 1.812 178.150 176.600 -0.436 0.000 0.985 168 E CA 1.127 57.445 56.400 -0.137 0.000 0.814 168 E CB -0.521 29.186 29.700 0.011 0.000 0.752 168 E HN 0.059 8.419 8.360 -0.000 0.000 0.466 169 A N 1.279 123.751 122.820 -0.580 0.000 1.841 169 A HA -0.118 4.205 4.320 0.004 0.000 0.214 169 A C 2.223 179.449 177.584 -0.598 0.000 1.195 169 A CA 1.307 52.706 52.037 -1.064 0.000 0.611 169 A CB -0.735 17.967 19.000 -0.497 0.000 0.835 169 A HN 0.315 8.465 8.150 -0.000 0.000 0.443 170 L N -0.847 120.196 121.223 -0.301 0.000 2.046 170 L HA -0.173 4.169 4.340 0.004 0.000 0.208 170 L C 2.679 179.450 176.870 -0.164 0.000 1.077 170 L CA 1.609 56.342 54.840 -0.177 0.000 0.747 170 L CB -0.507 41.490 42.059 -0.103 0.000 0.896 170 L HN 0.393 8.623 8.230 -0.000 0.000 0.432 171 E N 0.702 120.800 120.200 -0.169 0.000 2.077 171 E HA -0.187 4.165 4.350 0.004 0.000 0.193 171 E C 2.113 178.639 176.600 -0.123 0.000 0.989 171 E CA 1.544 57.873 56.400 -0.118 0.000 0.800 171 E CB -0.166 29.472 29.700 -0.103 0.000 0.746 171 E HN 0.359 8.719 8.360 -0.000 0.000 0.452 172 A N 0.627 123.323 122.820 -0.207 0.000 1.851 172 A HA -0.122 4.201 4.320 0.004 0.000 0.216 172 A C 2.001 179.533 177.584 -0.087 0.000 1.195 172 A CA 1.539 53.489 52.037 -0.145 0.000 0.622 172 A CB -0.735 18.119 19.000 -0.243 0.000 0.831 172 A HN 0.320 8.470 8.150 -0.000 0.000 0.444 173 L N 0.703 121.849 121.223 -0.129 0.000 2.715 173 L HA 0.066 4.408 4.340 0.004 0.000 0.238 173 L C 0.773 177.612 176.870 -0.052 0.000 1.212 173 L CA -0.307 54.498 54.840 -0.059 0.000 1.017 173 L CB -0.866 41.165 42.059 -0.047 0.000 1.269 173 L HN 0.491 8.721 8.230 -0.000 0.000 0.452 174 K N -0.171 120.194 120.400 -0.058 0.000 2.494 174 K HA -0.103 4.219 4.320 0.004 0.000 0.273 174 K C -0.037 176.547 176.600 -0.026 0.000 0.970 174 K CA -0.046 56.214 56.287 -0.044 0.000 0.963 174 K CB 0.386 32.860 32.500 -0.044 0.000 0.913 174 K HN 0.093 8.343 8.250 -0.000 0.000 0.502 175 D N 1.124 121.511 120.400 -0.022 0.000 2.701 175 D HA -0.193 4.449 4.640 0.004 0.000 0.235 175 D C -0.820 175.476 176.300 -0.006 0.000 1.155 175 D CA 1.194 55.187 54.000 -0.013 0.000 0.649 175 D CB -0.671 40.122 40.800 -0.012 0.000 1.050 175 D HN 0.623 8.993 8.370 -0.000 0.000 0.425 176 R N -0.042 120.456 120.500 -0.003 0.000 2.744 176 R HA 0.543 4.885 4.340 0.004 0.000 0.279 176 R C -2.705 173.605 176.300 0.018 0.000 0.977 176 R CA -1.706 54.400 56.100 0.010 0.000 0.906 176 R CB 1.970 32.277 30.300 0.013 0.000 1.197 176 R HN -0.156 8.114 8.270 -0.000 0.000 0.463 177 P HA 0.202 4.622 4.420 -0.000 0.000 0.282 177 P C -0.858 176.477 177.300 0.059 0.000 1.262 177 P CA -0.057 63.060 63.100 0.029 0.000 0.773 177 P CB 0.909 32.626 31.700 0.029 0.000 0.879 178 L N 4.261 125.512 121.223 0.047 0.000 2.301 178 L HA 0.648 4.991 4.340 0.004 0.000 0.264 178 L C -0.291 176.650 176.870 0.118 0.000 1.016 178 L CA -1.202 53.691 54.840 0.089 0.000 0.821 178 L CB 1.680 43.756 42.059 0.028 0.000 1.346 178 L HN 0.426 8.656 8.230 -0.000 0.000 0.429 179 Y N -0.205 120.070 120.300 -0.043 0.000 2.597 179 Y HA 0.883 5.435 4.550 0.003 0.000 0.340 179 Y C -1.217 174.719 175.900 0.061 0.000 1.097 179 Y CA -1.465 56.617 58.100 -0.031 0.000 1.037 179 Y CB 1.357 39.777 38.460 -0.067 0.000 1.305 179 Y HN 0.599 8.879 8.280 -0.000 0.000 0.463 180 A N 1.634 124.464 122.820 0.017 0.000 2.355 180 A HA 0.781 5.103 4.320 0.004 0.000 0.324 180 A C -1.172 176.466 177.584 0.091 0.000 1.117 180 A CA -0.907 51.104 52.037 -0.042 0.000 0.785 180 A CB 1.273 20.297 19.000 0.039 0.000 1.254 180 A HN 0.776 8.927 8.150 -0.000 0.000 0.453 181 E N 1.035 121.255 120.200 0.034 0.000 2.222 181 E HA 0.303 4.655 4.350 0.004 0.000 0.267 181 E C -0.898 175.767 176.600 0.108 0.000 0.884 181 E CA -0.879 55.597 56.400 0.126 0.000 0.764 181 E CB 2.375 32.126 29.700 0.085 0.000 1.169 181 E HN 0.630 8.990 8.360 -0.000 0.000 0.413 182 K N 2.783 123.259 120.400 0.127 0.000 2.326 182 K HA 0.025 4.347 4.320 0.004 0.000 0.275 182 K C -0.338 176.325 176.600 0.105 0.000 1.018 182 K CA -0.441 55.925 56.287 0.131 0.000 0.962 182 K CB 0.785 33.357 32.500 0.120 0.000 0.953 182 K HN 0.504 8.754 8.250 -0.000 0.000 0.475 183 W N 2.576 123.836 121.300 -0.067 0.000 2.193 183 W HA 0.152 4.814 4.660 0.004 0.000 0.338 183 W C -0.698 175.666 176.519 -0.259 0.000 1.310 183 W CA -0.251 56.947 57.345 -0.246 0.000 1.243 183 W CB 0.756 29.948 29.460 -0.447 0.000 1.165 183 W HN 0.655 8.835 8.180 -0.000 0.000 0.566 184 A N 6.369 128.647 122.820 -0.903 0.000 2.293 184 A HA 0.354 4.676 4.320 0.004 0.000 0.312 184 A C -1.660 175.470 177.584 -0.756 0.000 1.309 184 A CA -0.539 51.128 52.037 -0.616 0.000 0.839 184 A CB 0.082 18.540 19.000 -0.903 0.000 1.155 184 A HN 0.549 8.699 8.150 -0.000 0.000 0.501 185 Y N 3.378 123.560 120.300 -0.196 0.000 2.632 185 Y HA 0.323 4.875 4.550 0.004 0.000 0.336 185 Y C 0.203 175.979 175.900 -0.207 0.000 1.237 185 Y CA -0.207 57.787 58.100 -0.176 0.000 1.595 185 Y CB -0.635 37.823 38.460 -0.003 0.000 1.508 185 Y HN 0.635 8.915 8.280 -0.000 0.000 0.480 186 F N -0.371 119.554 119.950 -0.043 0.000 2.378 186 F HA 0.482 5.011 4.527 0.004 0.000 0.325 186 F C 0.785 176.621 175.800 0.060 0.000 1.097 186 F CA -1.313 56.686 58.000 -0.002 0.000 1.079 186 F CB 1.060 40.035 39.000 -0.042 0.000 1.240 186 F HN 0.158 8.458 8.300 -0.000 0.000 0.519 187 K N 1.378 121.983 120.400 0.342 0.000 2.367 187 K HA 0.377 4.699 4.320 0.004 0.000 0.194 187 K C -0.192 176.566 176.600 0.263 0.000 1.027 187 K CA 0.092 56.522 56.287 0.237 0.000 1.075 187 K CB 0.602 33.187 32.500 0.141 0.000 0.845 187 K HN 0.901 9.151 8.250 -0.000 0.000 0.529 188 M N 0.510 120.301 119.600 0.318 0.000 2.822 188 M HA 0.189 4.671 4.480 0.004 0.000 0.275 188 M C -2.223 174.087 176.300 0.016 0.000 1.084 188 M CA -0.422 54.973 55.300 0.158 0.000 0.814 188 M CB 2.150 34.798 32.600 0.081 0.000 1.693 188 M HN -0.042 8.248 8.290 -0.000 0.000 0.531 189 E N 2.812 122.952 120.200 -0.100 0.000 2.199 189 E HA 0.711 5.063 4.350 0.004 0.000 0.269 189 E C -1.569 174.963 176.600 -0.113 0.000 0.899 189 E CA -0.745 55.529 56.400 -0.209 0.000 0.772 189 E CB 2.474 31.993 29.700 -0.302 0.000 1.155 189 E HN 0.546 8.906 8.360 -0.000 0.000 0.408 190 L N 1.208 122.355 121.223 -0.127 0.000 2.323 190 L HA 0.866 5.208 4.340 0.004 0.000 0.265 190 L C -0.603 176.200 176.870 -0.111 0.000 1.012 190 L CA -0.964 53.825 54.840 -0.085 0.000 0.820 190 L CB 1.988 44.009 42.059 -0.062 0.000 1.334 190 L HN 0.584 8.814 8.230 -0.000 0.000 0.427 191 A N 1.438 124.211 122.820 -0.077 0.000 2.520 191 A HA 0.845 5.168 4.320 0.004 0.000 0.298 191 A C -1.459 176.094 177.584 -0.052 0.000 1.051 191 A CA -0.459 51.521 52.037 -0.095 0.000 0.690 191 A CB 2.004 20.949 19.000 -0.092 0.000 1.281 191 A HN 0.331 8.481 8.150 -0.000 0.000 0.402 192 V N 2.418 122.294 119.914 -0.063 0.000 2.962 192 V HA 0.521 4.643 4.120 0.004 0.000 0.313 192 V C -0.847 175.248 176.094 0.002 0.000 1.099 192 V CA -0.709 61.595 62.300 0.006 0.000 0.971 192 V CB 1.980 33.808 31.823 0.007 0.000 1.028 192 V HN 0.747 8.937 8.190 -0.000 0.000 0.430 193 I N 3.348 123.975 120.570 0.095 0.000 2.321 193 I HA 0.459 4.631 4.170 0.004 0.000 0.291 193 I C -0.092 176.132 176.117 0.179 0.000 0.998 193 I CA -0.340 61.023 61.300 0.104 0.000 1.227 193 I CB 1.491 39.553 38.000 0.102 0.000 1.368 193 I HN 0.271 8.481 8.210 -0.000 0.000 0.466 194 V N 7.171 127.162 119.914 0.127 0.000 2.581 194 V HA 0.502 4.624 4.120 0.004 0.000 0.303 194 V C -0.015 176.178 176.094 0.164 0.000 1.041 194 V CA -0.797 61.564 62.300 0.102 0.000 0.907 194 V CB 2.423 34.255 31.823 0.015 0.000 0.994 194 V HN 0.392 8.582 8.190 -0.000 0.000 0.442 195 V N 4.129 124.105 119.914 0.104 0.000 2.357 195 V HA 0.432 4.554 4.120 0.004 0.000 0.284 195 V C -0.030 176.109 176.094 0.075 0.000 1.018 195 V CA -0.910 61.465 62.300 0.124 0.000 0.841 195 V CB 1.275 33.142 31.823 0.073 0.000 0.991 195 V HN 0.789 8.979 8.190 -0.000 0.000 0.437 196 K N 3.378 123.853 120.400 0.125 0.000 2.183 196 K HA 0.668 4.991 4.320 0.004 0.000 0.274 196 K C 0.155 176.784 176.600 0.049 0.000 1.009 196 K CA -0.381 55.937 56.287 0.052 0.000 0.888 196 K CB 1.944 34.483 32.500 0.065 0.000 1.078 196 K HN 0.892 9.142 8.250 -0.000 0.000 0.459 197 T N -1.887 112.674 114.554 0.011 0.000 2.883 197 T HA 0.252 4.604 4.350 0.004 0.000 0.284 197 T C 1.170 175.867 174.700 -0.005 0.000 1.041 197 T CA -0.972 61.129 62.100 0.001 0.000 1.007 197 T CB 1.651 70.511 68.868 -0.012 0.000 1.220 197 T HN 0.516 8.756 8.240 -0.000 0.000 0.552 198 K N 0.530 120.925 120.400 -0.008 0.000 2.052 198 K HA -0.238 4.084 4.320 0.004 0.000 0.215 198 K C 0.620 177.213 176.600 -0.012 0.000 1.053 198 K CA 2.727 59.009 56.287 -0.008 0.000 0.934 198 K CB -0.485 32.010 32.500 -0.009 0.000 0.717 198 K HN 0.841 9.091 8.250 -0.000 0.000 0.450 199 D N -1.299 119.091 120.400 -0.016 0.000 2.513 199 D HA 0.139 4.781 4.640 0.004 0.000 0.222 199 D C -0.343 175.943 176.300 -0.024 0.000 1.210 199 D CA -0.354 53.634 54.000 -0.019 0.000 0.825 199 D CB 0.770 41.559 40.800 -0.019 0.000 1.037 199 D HN 0.206 8.576 8.370 -0.000 0.000 0.506 200 E N -0.257 119.928 120.200 -0.025 0.000 2.407 200 E HA 0.476 4.828 4.350 0.004 0.000 0.279 200 E C -1.846 174.734 176.600 -0.034 0.000 1.012 200 E CA -0.994 55.388 56.400 -0.031 0.000 0.800 200 E CB 2.160 31.840 29.700 -0.034 0.000 1.276 200 E HN -0.121 8.239 8.360 -0.000 0.000 0.452 201 V N 3.659 123.547 119.914 -0.042 0.000 2.513 201 V HA 0.544 4.666 4.120 0.004 0.000 0.299 201 V C -0.216 175.847 176.094 -0.052 0.000 1.035 201 V CA -0.435 61.837 62.300 -0.048 0.000 0.889 201 V CB 1.279 33.065 31.823 -0.062 0.000 0.988 201 V HN 0.573 8.763 8.190 -0.000 0.000 0.440 202 L N 3.305 124.495 121.223 -0.055 0.000 2.250 202 L HA 0.902 5.244 4.340 0.004 0.000 0.252 202 L C -0.268 176.545 176.870 -0.095 0.000 1.054 202 L CA -0.531 54.257 54.840 -0.086 0.000 0.856 202 L CB 2.570 44.564 42.059 -0.108 0.000 1.443 202 L HN 0.786 9.016 8.230 -0.000 0.000 0.427 203 S N -1.526 114.085 115.700 -0.149 0.000 2.588 203 S HA 0.631 5.103 4.470 0.004 0.000 0.269 203 S C -1.634 172.826 174.600 -0.233 0.000 1.157 203 S CA -0.832 57.296 58.200 -0.121 0.000 0.824 203 S CB 1.337 64.521 63.200 -0.027 0.000 1.126 203 S HN 0.358 8.668 8.310 -0.000 0.000 0.464 204 Y N 0.599 120.912 120.300 0.022 0.000 2.453 204 Y HA 0.649 5.201 4.550 0.003 0.000 0.326 204 Y C -2.329 173.611 175.900 0.067 0.000 1.186 204 Y CA -2.077 56.059 58.100 0.060 0.000 1.200 204 Y CB 1.003 39.516 38.460 0.088 0.000 1.247 204 Y HN 0.470 8.751 8.280 -0.000 0.000 0.482 205 P HA 0.116 4.536 4.420 -0.000 0.000 0.274 205 P C -0.778 176.595 177.300 0.121 0.000 1.256 205 P CA -0.411 62.774 63.100 0.142 0.000 0.795 205 P CB 0.426 32.200 31.700 0.124 0.000 1.038 206 T N 0.361 114.948 114.554 0.055 0.000 2.901 206 T HA 0.371 4.723 4.350 0.004 0.000 0.301 206 T C 0.250 174.945 174.700 -0.008 0.000 1.012 206 T CA -0.215 61.898 62.100 0.022 0.000 1.135 206 T CB -0.030 68.840 68.868 0.004 0.000 0.936 206 T HN 0.333 8.573 8.240 -0.000 0.000 0.539 207 V N 0.687 120.585 119.914 -0.027 0.000 3.046 207 V HA 0.721 4.843 4.120 0.004 0.000 0.316 207 V C -0.515 175.562 176.094 -0.028 0.000 1.104 207 V CA -1.253 61.008 62.300 -0.066 0.000 1.006 207 V CB 2.072 33.797 31.823 -0.164 0.000 1.058 207 V HN 0.898 9.088 8.190 -0.000 0.000 0.440 208 E N 1.886 122.092 120.200 0.010 0.000 2.156 208 E HA 0.606 4.958 4.350 0.004 0.000 0.279 208 E C -0.412 176.248 176.600 0.100 0.000 0.965 208 E CA -0.377 56.049 56.400 0.044 0.000 0.789 208 E CB 1.646 31.370 29.700 0.041 0.000 1.098 208 E HN 1.094 9.454 8.360 -0.000 0.000 0.397 209 T N 0.247 114.831 114.554 0.049 0.000 2.918 209 T HA 0.583 4.935 4.350 0.004 0.000 0.286 209 T C -0.518 174.228 174.700 0.077 0.000 1.026 209 T CA -0.775 61.356 62.100 0.052 0.000 1.031 209 T CB 1.583 70.450 68.868 -0.001 0.000 1.046 209 T HN 0.187 8.427 8.240 -0.000 0.000 0.479 210 V N 2.548 122.521 119.914 0.099 0.000 2.525 210 V HA 0.511 4.633 4.120 0.004 0.000 0.299 210 V C -0.982 175.165 176.094 0.088 0.000 1.034 210 V CA -0.700 61.671 62.300 0.119 0.000 0.863 210 V CB 1.661 33.590 31.823 0.177 0.000 0.999 210 V HN 0.910 9.100 8.190 -0.000 0.000 0.423 211 Q N 2.745 122.602 119.800 0.096 0.000 2.351 211 Q HA 0.742 5.085 4.340 0.004 0.000 0.273 211 Q C -0.916 175.148 176.000 0.106 0.000 1.077 211 Q CA -0.592 55.262 55.803 0.085 0.000 0.843 211 Q CB 2.372 31.160 28.738 0.084 0.000 1.367 211 Q HN 0.760 9.030 8.270 -0.000 0.000 0.449 212 E N 0.867 121.117 120.200 0.084 0.000 2.290 212 E HA 0.259 4.611 4.350 0.004 0.000 0.274 212 E C -1.207 175.428 176.600 0.059 0.000 0.889 212 E CA -0.530 55.916 56.400 0.078 0.000 0.760 212 E CB 1.542 31.280 29.700 0.063 0.000 1.206 212 E HN 0.553 8.913 8.360 -0.000 0.000 0.419 213 D N 1.942 122.375 120.400 0.055 0.000 2.751 213 D HA -0.198 4.444 4.640 0.004 0.000 0.233 213 D C -0.297 176.024 176.300 0.035 0.000 1.149 213 D CA 1.347 55.364 54.000 0.028 0.000 0.682 213 D CB -1.142 39.665 40.800 0.012 0.000 1.068 213 D HN 0.596 8.966 8.370 -0.000 0.000 0.429 214 S N -2.230 113.506 115.700 0.060 0.000 3.261 214 S HA -0.260 4.212 4.470 0.004 0.000 0.287 214 S C 0.366 174.996 174.600 0.051 0.000 1.281 214 S CA 1.177 59.414 58.200 0.061 0.000 1.053 214 S CB -0.856 62.373 63.200 0.047 0.000 1.251 214 S HN 0.563 8.873 8.310 -0.000 0.000 0.659 215 I N 0.358 120.956 120.570 0.047 0.000 2.493 215 I HA 0.411 4.584 4.170 0.004 0.000 0.298 215 I C 0.940 177.080 176.117 0.037 0.000 0.998 215 I CA -0.805 60.518 61.300 0.039 0.000 1.137 215 I CB 1.416 39.438 38.000 0.035 0.000 1.310 215 I HN 0.319 8.529 8.210 -0.000 0.000 0.445 216 C N 5.537 124.849 119.300 0.021 0.000 2.611 216 C HA 0.056 4.518 4.460 0.004 0.000 0.416 216 C C 1.519 176.521 174.990 0.020 0.000 1.366 216 C CA 0.373 59.396 59.018 0.008 0.000 1.761 216 C CB -0.478 27.241 27.740 -0.036 0.000 2.619 216 C HN 1.028 9.258 8.230 -0.000 0.000 0.606 217 K N 2.957 123.372 120.400 0.026 0.000 2.362 217 K HA 0.384 4.706 4.320 0.004 0.000 0.203 217 K C -0.281 176.321 176.600 0.004 0.000 1.198 217 K CA 0.188 56.493 56.287 0.029 0.000 0.908 217 K CB 0.184 32.714 32.500 0.049 0.000 1.236 217 K HN 0.762 9.012 8.250 -0.000 0.000 0.487 218 L N 1.051 122.275 121.223 0.001 0.000 2.376 218 L HA 0.465 4.807 4.340 0.004 0.000 0.258 218 L C -1.384 175.440 176.870 -0.076 0.000 1.013 218 L CA -1.195 53.595 54.840 -0.083 0.000 0.822 218 L CB 2.580 44.568 42.059 -0.118 0.000 1.388 218 L HN -0.241 7.989 8.230 -0.000 0.000 0.413 219 V N 0.992 120.789 119.914 -0.194 0.000 2.577 219 V HA 0.457 4.580 4.120 0.004 0.000 0.303 219 V C -1.496 174.421 176.094 -0.294 0.000 1.042 219 V CA -0.657 61.556 62.300 -0.145 0.000 0.872 219 V CB 1.700 33.463 31.823 -0.100 0.000 0.998 219 V HN 0.409 8.599 8.190 -0.000 0.000 0.423 220 Y N 2.624 122.857 120.300 -0.112 0.000 2.328 220 Y HA 0.781 5.333 4.550 0.003 0.000 0.336 220 Y C 0.339 176.109 175.900 -0.216 0.000 0.960 220 Y CA -0.890 57.138 58.100 -0.120 0.000 1.134 220 Y CB 2.049 40.470 38.460 -0.065 0.000 1.166 220 Y HN 0.699 8.979 8.280 -0.000 0.000 0.464 221 A N 6.292 128.996 122.820 -0.195 0.000 2.311 221 A HA 0.745 5.067 4.320 0.004 0.000 0.306 221 A C -2.849 174.644 177.584 -0.151 0.000 1.189 221 A CA -1.815 49.988 52.037 -0.389 0.000 0.791 221 A CB 1.007 19.302 19.000 -1.176 0.000 1.172 221 A HN 0.399 8.549 8.150 -0.000 0.000 0.481 222 P HA 0.436 4.856 4.420 -0.000 0.000 0.279 222 P C 0.088 177.374 177.300 -0.024 0.000 1.276 222 P CA -0.292 62.773 63.100 -0.058 0.000 0.801 222 P CB 0.966 32.664 31.700 -0.003 0.000 1.127 223 A N 1.769 124.576 122.820 -0.022 0.000 2.531 223 A HA 0.064 4.386 4.320 0.004 0.000 0.236 223 A C 0.507 178.079 177.584 -0.021 0.000 1.062 223 A CA 0.225 52.254 52.037 -0.013 0.000 0.760 223 A CB -0.525 18.465 19.000 -0.017 0.000 0.995 223 A HN 0.407 8.557 8.150 -0.000 0.000 0.501 224 R N 1.293 121.760 120.500 -0.055 0.000 2.457 224 R HA 0.323 4.665 4.340 0.004 0.000 0.284 224 R C -0.051 176.213 176.300 -0.060 0.000 1.024 224 R CA -0.214 55.845 56.100 -0.069 0.000 1.025 224 R CB 0.421 30.633 30.300 -0.148 0.000 1.063 224 R HN 0.940 9.210 8.270 -0.000 0.000 0.493 225 N N -0.260 118.417 118.700 -0.039 0.000 2.714 225 N HA -0.176 4.566 4.740 0.004 0.000 0.253 225 N C -1.650 173.850 175.510 -0.016 0.000 1.024 225 N CA 0.046 53.080 53.050 -0.027 0.000 0.726 225 N CB -0.544 37.920 38.487 -0.038 0.000 0.908 225 N HN 0.109 8.489 8.380 -0.000 0.000 0.542 226 V N 0.557 120.465 119.914 -0.010 0.000 2.711 226 V HA 0.340 4.462 4.120 0.004 0.000 0.304 226 V C 0.237 176.331 176.094 -0.000 0.000 1.097 226 V CA -0.785 61.514 62.300 -0.002 0.000 0.906 226 V CB 1.982 33.803 31.823 -0.004 0.000 1.015 226 V HN 0.371 8.561 8.190 -0.000 0.000 0.427 227 S N 2.168 117.869 115.700 0.003 0.000 2.593 227 S HA 0.192 4.664 4.470 0.004 0.000 0.269 227 S C 0.765 175.368 174.600 0.004 0.000 1.334 227 S CA -0.375 57.827 58.200 0.004 0.000 1.015 227 S CB 0.861 64.064 63.200 0.005 0.000 0.912 227 S HN 0.721 9.031 8.310 -0.000 0.000 0.541 228 D N 1.745 122.148 120.400 0.004 0.000 2.182 228 D HA -0.125 4.517 4.640 0.004 0.000 0.201 228 D C 2.164 178.466 176.300 0.003 0.000 0.986 228 D CA 1.592 55.594 54.000 0.004 0.000 0.847 228 D CB -0.899 39.903 40.800 0.003 0.000 0.942 228 D HN 0.705 9.075 8.370 -0.000 0.000 0.467 229 A N 1.243 124.066 122.820 0.004 0.000 1.892 229 A HA -0.191 4.131 4.320 0.004 0.000 0.218 229 A C 2.399 179.986 177.584 0.005 0.000 1.188 229 A CA 1.186 53.226 52.037 0.004 0.000 0.631 229 A CB -0.811 18.192 19.000 0.005 0.000 0.822 229 A HN 0.196 8.346 8.150 -0.000 0.000 0.447 230 I N -0.316 120.258 120.570 0.007 0.000 2.286 230 I HA -0.210 3.962 4.170 0.004 0.000 0.245 230 I C 2.089 178.209 176.117 0.004 0.000 1.104 230 I CA 0.930 62.235 61.300 0.009 0.000 1.397 230 I CB -0.398 37.609 38.000 0.011 0.000 1.072 230 I HN 0.299 8.509 8.210 -0.000 0.000 0.417 231 N N 0.553 119.255 118.700 0.003 0.000 2.205 231 N HA -0.245 4.497 4.740 0.004 0.000 0.186 231 N C 1.794 177.303 175.510 -0.001 0.000 1.015 231 N CA 1.206 54.257 53.050 0.001 0.000 0.862 231 N CB -0.250 38.239 38.487 0.004 0.000 0.986 231 N HN 0.475 8.855 8.380 -0.000 0.000 0.429 232 Q N 0.934 120.734 119.800 -0.001 0.000 2.079 232 Q HA -0.073 4.269 4.340 0.004 0.000 0.200 232 Q C 1.548 177.544 176.000 -0.006 0.000 0.974 232 Q CA 1.189 56.990 55.803 -0.003 0.000 0.840 232 Q CB 0.143 28.880 28.738 -0.003 0.000 0.898 232 Q HN 0.329 8.599 8.270 -0.000 0.000 0.430 233 K N -0.024 120.374 120.400 -0.003 0.000 2.097 233 K HA -0.133 4.189 4.320 0.004 0.000 0.206 233 K C 2.065 178.659 176.600 -0.009 0.000 1.049 233 K CA 1.147 57.432 56.287 -0.004 0.000 0.933 233 K CB -0.187 32.315 32.500 0.003 0.000 0.717 233 K HN 0.171 8.421 8.250 -0.000 0.000 0.442 234 A N 1.742 124.555 122.820 -0.010 0.000 1.858 234 A HA -0.211 4.111 4.320 0.004 0.000 0.216 234 A C 2.196 179.766 177.584 -0.023 0.000 1.190 234 A CA 1.308 53.334 52.037 -0.020 0.000 0.617 234 A CB -0.406 18.583 19.000 -0.017 0.000 0.827 234 A HN 0.208 8.358 8.150 -0.000 0.000 0.443 235 Q N -0.256 119.534 119.800 -0.016 0.000 2.061 235 Q HA -0.241 4.101 4.340 0.004 0.000 0.204 235 Q C 2.138 178.122 176.000 -0.027 0.000 0.984 235 Q CA 1.734 57.527 55.803 -0.018 0.000 0.846 235 Q CB -0.574 28.157 28.738 -0.012 0.000 0.902 235 Q HN 0.949 9.219 8.270 -0.000 0.000 0.421 236 E N 0.920 121.106 120.200 -0.023 0.000 2.048 236 E HA -0.254 4.098 4.350 0.004 0.000 0.202 236 E C 2.070 178.650 176.600 -0.033 0.000 1.021 236 E CA 1.561 57.945 56.400 -0.026 0.000 0.825 236 E CB -0.419 29.270 29.700 -0.018 0.000 0.756 236 E HN 0.233 8.593 8.360 -0.000 0.000 0.454 237 L N 1.348 122.553 121.223 -0.031 0.000 2.042 237 L HA -0.119 4.223 4.340 0.004 0.000 0.210 237 L C 2.591 179.430 176.870 -0.052 0.000 1.076 237 L CA 2.445 57.263 54.840 -0.037 0.000 0.749 237 L CB -1.054 40.986 42.059 -0.033 0.000 0.893 237 L HN 0.324 8.554 8.230 -0.000 0.000 0.432 238 A N -0.804 121.984 122.820 -0.054 0.000 1.902 238 A HA -0.216 4.106 4.320 0.004 0.000 0.217 238 A C 2.429 179.967 177.584 -0.078 0.000 1.181 238 A CA 1.738 53.736 52.037 -0.065 0.000 0.623 238 A CB -0.471 18.496 19.000 -0.055 0.000 0.818 238 A HN 0.461 8.611 8.150 -0.000 0.000 0.443 239 R N -0.461 119.997 120.500 -0.070 0.000 2.062 239 R HA -0.085 4.257 4.340 0.004 0.000 0.231 239 R C 2.361 178.600 176.300 -0.101 0.000 1.136 239 R CA 1.691 57.739 56.100 -0.087 0.000 0.948 239 R CB -0.289 29.971 30.300 -0.066 0.000 0.845 239 R HN 0.548 8.818 8.270 -0.000 0.000 0.430 240 K N 0.258 120.609 120.400 -0.081 0.000 2.059 240 K HA -0.222 4.100 4.320 0.004 0.000 0.212 240 K C 2.031 178.540 176.600 -0.152 0.000 1.050 240 K CA 1.737 57.969 56.287 -0.092 0.000 0.927 240 K CB -0.195 32.270 32.500 -0.059 0.000 0.714 240 K HN 0.217 8.467 8.250 -0.000 0.000 0.447 241 A N 0.491 123.240 122.820 -0.118 0.000 1.883 241 A HA -0.157 4.165 4.320 0.004 0.000 0.217 241 A C 2.285 179.861 177.584 -0.012 0.000 1.186 241 A CA 1.885 53.869 52.037 -0.087 0.000 0.624 241 A CB -0.775 18.207 19.000 -0.030 0.000 0.822 241 A HN 0.202 8.352 8.150 -0.000 0.000 0.444 242 V N -0.234 119.623 119.914 -0.096 0.000 2.343 242 V HA -0.232 3.890 4.120 0.004 0.000 0.247 242 V C 3.051 179.027 176.094 -0.197 0.000 1.051 242 V CA 1.846 64.010 62.300 -0.227 0.000 1.036 242 V CB -1.107 30.480 31.823 -0.394 0.000 0.654 242 V HN 0.640 8.830 8.190 -0.000 0.000 0.451 243 A N 0.063 122.763 122.820 -0.201 0.000 1.986 243 A HA -0.195 4.127 4.320 0.004 0.000 0.220 243 A C 2.288 179.729 177.584 -0.239 0.000 1.171 243 A CA 1.998 53.926 52.037 -0.182 0.000 0.640 243 A CB -0.703 18.212 19.000 -0.141 0.000 0.811 243 A HN 0.641 8.791 8.150 -0.000 0.000 0.451 244 A N -2.012 120.538 122.820 -0.449 0.000 2.248 244 A HA 0.351 4.673 4.320 0.004 0.000 0.210 244 A C 0.418 177.518 177.584 -0.808 0.000 1.174 244 A CA 0.417 51.933 52.037 -0.867 0.000 0.750 244 A CB -0.443 17.619 19.000 -1.563 0.000 0.780 244 A HN 0.386 8.536 8.150 -0.000 0.000 0.478 245 F N -1.244 118.606 119.950 -0.166 0.000 2.611 245 F HA 0.528 5.058 4.527 0.004 0.000 0.324 245 F C -0.617 175.111 175.800 -0.120 0.000 1.061 245 F CA -1.240 56.691 58.000 -0.116 0.000 0.954 245 F CB 1.484 40.426 39.000 -0.097 0.000 1.301 245 F HN -0.130 8.170 8.300 -0.000 0.000 0.482 246 D N 0.164 120.629 120.400 0.109 0.000 2.248 246 D HA 0.658 5.300 4.640 0.004 0.000 0.246 246 D C -0.143 176.208 176.300 0.085 0.000 1.027 246 D CA -0.017 54.003 54.000 0.033 0.000 0.853 246 D CB 1.846 42.618 40.800 -0.047 0.000 1.243 246 D HN 0.874 9.244 8.370 -0.000 0.000 0.462 247 G N 0.823 109.675 108.800 0.086 0.000 2.348 247 G HA2 0.088 4.050 3.960 0.004 0.000 0.606 247 G HA3 0.088 4.050 3.960 0.004 0.000 0.606 247 G C -1.115 173.892 174.900 0.178 0.000 1.466 247 G CA -1.087 44.085 45.100 0.119 0.000 0.950 247 G HN 0.329 8.619 8.290 -0.000 0.000 0.657 248 K N -0.139 120.334 120.400 0.121 0.000 2.098 248 K HA 0.833 5.155 4.320 0.004 0.000 0.258 248 K C 0.723 177.403 176.600 0.133 0.000 0.973 248 K CA 0.904 57.258 56.287 0.112 0.000 0.898 248 K CB 1.675 34.190 32.500 0.025 0.000 1.057 248 K HN 2.090 10.340 8.250 -0.000 0.000 0.447 249 G N -0.414 108.481 108.800 0.158 0.000 2.343 249 G HA2 -0.051 3.911 3.960 0.004 0.000 0.465 249 G HA3 -0.051 3.911 3.960 0.004 0.000 0.465 249 G C -1.485 173.619 174.900 0.340 0.000 1.282 249 G CA -1.045 44.167 45.100 0.188 0.000 0.996 249 G HN 0.408 8.698 8.290 -0.000 0.000 0.521 250 V N 0.102 120.224 119.914 0.346 0.000 2.785 250 V HA 0.792 4.914 4.120 0.004 0.000 0.300 250 V C -0.290 175.727 176.094 -0.128 0.000 1.062 250 V CA 0.024 62.415 62.300 0.151 0.000 1.029 250 V CB 1.119 32.935 31.823 -0.012 0.000 1.024 250 V HN 0.643 8.833 8.190 -0.000 0.000 0.477 251 F N 0.916 120.817 119.950 -0.082 0.000 2.591 251 F HA 0.699 5.228 4.527 0.003 0.000 0.309 251 F C 0.507 176.207 175.800 -0.166 0.000 1.098 251 F CA -0.632 57.281 58.000 -0.144 0.000 0.937 251 F CB 2.044 40.958 39.000 -0.143 0.000 1.250 251 F HN 0.580 8.880 8.300 -0.000 0.000 0.447 252 G N 1.016 109.757 108.800 -0.099 0.000 2.400 252 G HA2 0.637 4.599 3.960 0.004 0.000 0.333 252 G HA3 0.637 4.599 3.960 0.004 0.000 0.333 252 G C -1.855 172.856 174.900 -0.315 0.000 1.143 252 G CA -0.816 44.100 45.100 -0.307 0.000 0.914 252 G HN 0.484 8.774 8.290 -0.000 0.000 0.480 253 V N 1.810 121.555 119.914 -0.283 0.000 2.482 253 V HA 0.329 4.451 4.120 0.004 0.000 0.295 253 V C -0.446 175.496 176.094 -0.253 0.000 1.026 253 V CA -0.800 61.365 62.300 -0.225 0.000 0.856 253 V CB 1.570 33.312 31.823 -0.134 0.000 1.001 253 V HN 0.835 9.025 8.190 -0.000 0.000 0.424 254 E N 5.018 125.052 120.200 -0.276 0.000 2.197 254 E HA 0.729 5.082 4.350 0.004 0.000 0.281 254 E C -0.808 175.569 176.600 -0.371 0.000 0.995 254 E CA -0.445 55.781 56.400 -0.290 0.000 0.808 254 E CB 2.204 31.748 29.700 -0.259 0.000 1.093 254 E HN 0.538 8.898 8.360 -0.000 0.000 0.394 255 M N 1.873 121.239 119.600 -0.391 0.000 2.667 255 M HA 0.496 4.978 4.480 0.004 0.000 0.286 255 M C -1.382 174.616 176.300 -0.504 0.000 1.270 255 M CA -0.546 54.490 55.300 -0.440 0.000 0.826 255 M CB 2.022 34.498 32.600 -0.207 0.000 1.743 255 M HN 0.415 8.705 8.290 -0.000 0.000 0.460 256 F N 1.436 121.313 119.950 -0.121 0.000 2.508 256 F HA 0.620 5.149 4.527 0.004 0.000 0.325 256 F C -0.745 175.042 175.800 -0.023 0.000 1.090 256 F CA -1.121 56.790 58.000 -0.149 0.000 0.945 256 F CB 1.555 40.539 39.000 -0.026 0.000 1.156 256 F HN 0.243 8.543 8.300 -0.000 0.000 0.463 257 L N 4.910 126.262 121.223 0.214 0.000 2.272 257 L HA 0.586 4.928 4.340 0.004 0.000 0.289 257 L C -1.038 175.961 176.870 0.216 0.000 1.032 257 L CA -0.433 54.505 54.840 0.163 0.000 0.810 257 L CB 0.686 42.805 42.059 0.099 0.000 1.205 257 L HN 0.489 8.719 8.230 -0.000 0.000 0.422 258 L N 3.798 125.125 121.223 0.174 0.000 2.387 258 L HA 0.473 4.815 4.340 0.004 0.000 0.266 258 L C 1.401 178.342 176.870 0.119 0.000 1.059 258 L CA -0.801 54.137 54.840 0.163 0.000 0.801 258 L CB 0.526 42.667 42.059 0.137 0.000 1.223 258 L HN 0.561 8.791 8.230 -0.000 0.000 0.456 259 E N 1.286 121.550 120.200 0.107 0.000 2.114 259 E HA -0.257 4.095 4.350 0.004 0.000 0.199 259 E C 1.098 177.733 176.600 0.059 0.000 1.008 259 E CA 1.808 58.253 56.400 0.075 0.000 0.810 259 E CB -0.309 29.425 29.700 0.058 0.000 0.739 259 E HN 0.802 9.162 8.360 -0.000 0.000 0.456 260 D N 0.712 121.147 120.400 0.060 0.000 2.358 260 D HA -0.140 4.503 4.640 0.004 0.000 0.241 260 D C -0.147 176.182 176.300 0.048 0.000 1.094 260 D CA 0.392 54.421 54.000 0.047 0.000 0.907 260 D CB -0.164 40.664 40.800 0.047 0.000 0.893 260 D HN -0.118 8.252 8.370 -0.000 0.000 0.528 261 D N -0.139 120.295 120.400 0.056 0.000 3.070 261 D HA -0.192 4.451 4.640 0.004 0.000 0.220 261 D C -0.127 176.205 176.300 0.052 0.000 1.176 261 D CA 1.229 55.260 54.000 0.051 0.000 0.924 261 D CB -1.513 39.309 40.800 0.036 0.000 1.124 261 D HN 0.558 8.928 8.370 -0.000 0.000 0.411 262 S N -0.305 115.433 115.700 0.062 0.000 2.616 262 S HA 0.645 5.117 4.470 0.004 0.000 0.277 262 S C 0.250 174.898 174.600 0.080 0.000 1.234 262 S CA -0.807 57.430 58.200 0.062 0.000 1.028 262 S CB 1.795 65.029 63.200 0.058 0.000 0.988 262 S HN 0.204 8.514 8.310 -0.000 0.000 0.522 263 I N 2.442 123.052 120.570 0.066 0.000 2.412 263 I HA 0.461 4.633 4.170 0.004 0.000 0.296 263 I C 0.113 176.278 176.117 0.080 0.000 0.987 263 I CA -0.494 60.848 61.300 0.070 0.000 1.180 263 I CB 1.638 39.656 38.000 0.029 0.000 1.340 263 I HN 0.533 8.743 8.210 -0.000 0.000 0.455 264 M N 5.364 125.034 119.600 0.116 0.000 2.591 264 M HA 0.472 4.954 4.480 0.004 0.000 0.306 264 M C -1.228 175.080 176.300 0.013 0.000 1.190 264 M CA -1.020 54.356 55.300 0.127 0.000 0.889 264 M CB 2.922 35.692 32.600 0.283 0.000 1.728 264 M HN 0.464 8.754 8.290 -0.000 0.000 0.458 265 L N 1.880 123.094 121.223 -0.014 0.000 2.349 265 L HA 0.216 4.558 4.340 0.004 0.000 0.275 265 L C 0.375 177.111 176.870 -0.224 0.000 1.115 265 L CA 0.141 54.907 54.840 -0.122 0.000 0.820 265 L CB 1.502 43.531 42.059 -0.051 0.000 1.135 265 L HN 1.003 9.233 8.230 -0.000 0.000 0.445 266 C N 3.807 122.829 119.300 -0.462 0.000 2.480 266 C HA 0.413 4.875 4.460 0.004 0.000 0.304 266 C C 0.514 175.392 174.990 -0.186 0.000 1.399 266 C CA 0.675 59.369 59.018 -0.540 0.000 1.900 266 C CB -0.661 26.431 27.740 -1.080 0.000 2.194 266 C HN 0.987 9.217 8.230 -0.000 0.000 0.550 267 E N -0.097 119.999 120.200 -0.174 0.000 2.409 267 E HA 0.473 4.825 4.350 0.004 0.000 0.280 267 E C -1.596 174.939 176.600 -0.108 0.000 1.079 267 E CA -0.716 55.637 56.400 -0.078 0.000 0.840 267 E CB 0.708 30.392 29.700 -0.027 0.000 1.309 267 E HN 0.420 8.780 8.360 -0.000 0.000 0.447 268 I N 0.926 121.446 120.570 -0.083 0.000 2.689 268 I HA 0.810 4.982 4.170 0.004 0.000 0.299 268 I C -1.570 174.469 176.117 -0.130 0.000 1.059 268 I CA -0.896 60.331 61.300 -0.121 0.000 1.055 268 I CB 1.872 39.807 38.000 -0.109 0.000 1.243 268 I HN 0.816 9.026 8.210 -0.000 0.000 0.425 269 A N 3.786 126.518 122.820 -0.147 0.000 2.343 269 A HA 0.564 4.886 4.320 0.004 0.000 0.316 269 A C -0.279 177.149 177.584 -0.261 0.000 1.104 269 A CA -0.487 51.456 52.037 -0.156 0.000 0.768 269 A CB 1.167 20.137 19.000 -0.049 0.000 1.213 269 A HN 0.712 8.862 8.150 -0.000 0.000 0.456 270 S N 2.046 117.512 115.700 -0.390 0.000 2.945 270 S HA 0.528 5.000 4.470 0.004 0.000 0.227 270 S C 0.141 174.303 174.600 -0.730 0.000 1.353 270 S CA -0.534 57.222 58.200 -0.740 0.000 1.236 270 S CB -0.854 62.045 63.200 -0.503 0.000 1.069 270 S HN 1.020 9.330 8.310 -0.000 0.000 0.509 271 R N -0.496 119.634 120.500 -0.616 0.000 2.832 271 R HA 0.390 4.732 4.340 0.004 0.000 0.283 271 R C -0.787 175.266 176.300 -0.412 0.000 0.998 271 R CA -1.275 54.499 56.100 -0.543 0.000 0.843 271 R CB -0.011 30.040 30.300 -0.414 0.000 1.332 271 R HN 0.293 8.563 8.270 -0.000 0.000 0.490 272 I N -0.622 119.681 120.570 -0.445 0.000 2.872 272 I HA 0.237 4.410 4.170 0.004 0.000 0.291 272 I C -0.241 175.771 176.117 -0.176 0.000 1.216 272 I CA 0.213 61.291 61.300 -0.369 0.000 1.424 272 I CB 0.295 38.012 38.000 -0.472 0.000 1.351 272 I HN 0.502 8.712 8.210 -0.000 0.000 0.592 273 H N 4.417 123.331 119.070 -0.260 0.000 2.930 273 H HA 0.170 4.728 4.556 0.003 0.000 0.371 273 H C 0.089 175.211 175.328 -0.344 0.000 1.169 273 H CA -0.584 55.331 56.048 -0.223 0.000 1.157 273 H CB 2.080 31.715 29.762 -0.211 0.000 1.789 273 H HN 0.890 9.170 8.280 -0.000 0.000 0.547 274 N N 0.723 118.922 118.700 -0.834 0.000 2.132 274 N HA -0.229 4.513 4.740 0.004 0.000 0.191 274 N C 1.519 176.613 175.510 -0.693 0.000 1.015 274 N CA 1.876 54.342 53.050 -0.974 0.000 0.864 274 N CB 0.163 38.296 38.487 -0.590 0.000 1.006 274 N HN 0.549 8.929 8.380 -0.000 0.000 0.430 275 S N -1.452 114.151 115.700 -0.161 0.000 2.537 275 S HA -0.006 4.466 4.470 0.004 0.000 0.240 275 S C 1.500 176.121 174.600 0.036 0.000 0.981 275 S CA 0.787 59.002 58.200 0.024 0.000 0.948 275 S CB 0.088 63.389 63.200 0.168 0.000 0.759 275 S HN 0.384 8.694 8.310 -0.000 0.000 0.531 276 G N -0.349 108.369 108.800 -0.138 0.000 3.324 276 G HA2 0.218 4.180 3.960 0.004 0.000 0.251 276 G HA3 0.218 4.180 3.960 0.004 0.000 0.251 276 G C 0.685 175.450 174.900 -0.225 0.000 1.072 276 G CA -0.349 44.613 45.100 -0.229 0.000 0.787 276 G HN 0.447 8.737 8.290 -0.000 0.000 0.537 277 H N 0.489 119.454 119.070 -0.176 0.000 2.390 277 H HA -0.198 4.360 4.556 0.004 0.000 0.298 277 H C 2.168 177.377 175.328 -0.197 0.000 1.106 277 H CA 1.177 57.103 56.048 -0.202 0.000 1.297 277 H CB -0.595 28.828 29.762 -0.565 0.000 1.375 277 H HN 0.709 8.989 8.280 -0.000 0.000 0.509 278 Y N 1.130 121.418 120.300 -0.020 0.000 2.315 278 Y HA -0.217 4.335 4.550 0.003 0.000 0.288 278 Y C 2.370 178.280 175.900 0.017 0.000 1.154 278 Y CA 1.499 59.597 58.100 -0.003 0.000 1.229 278 Y CB -1.171 37.274 38.460 -0.026 0.000 0.980 278 Y HN 0.174 8.454 8.280 -0.000 0.000 0.540 279 T N -1.499 112.437 114.554 -1.030 0.000 3.025 279 T HA -0.120 4.232 4.350 0.004 0.000 0.270 279 T C 1.678 176.267 174.700 -0.186 0.000 1.126 279 T CA 1.343 63.008 62.100 -0.725 0.000 1.105 279 T CB -0.822 67.440 68.868 -1.010 0.000 0.884 279 T HN 0.567 8.807 8.240 -0.000 0.000 0.522 280 I N 0.792 121.331 120.570 -0.051 0.000 2.252 280 I HA -0.069 4.103 4.170 0.004 0.000 0.245 280 I C 2.304 178.481 176.117 0.099 0.000 1.102 280 I CA 1.525 62.877 61.300 0.087 0.000 1.385 280 I CB -0.399 37.698 38.000 0.162 0.000 1.064 280 I HN 0.309 8.519 8.210 -0.000 0.000 0.414 281 E N 0.342 120.612 120.200 0.116 0.000 2.473 281 E HA 0.083 4.435 4.350 0.004 0.000 0.204 281 E C 1.885 178.561 176.600 0.125 0.000 0.994 281 E CA 0.331 56.807 56.400 0.126 0.000 0.945 281 E CB 0.202 29.991 29.700 0.149 0.000 0.990 281 E HN 0.394 8.754 8.360 -0.000 0.000 0.493 282 G N -0.593 108.287 108.800 0.134 0.000 2.777 282 G HA2 0.028 3.990 3.960 0.004 0.000 0.211 282 G HA3 0.028 3.990 3.960 0.004 0.000 0.211 282 G C 0.408 175.404 174.900 0.160 0.000 1.149 282 G CA 0.170 45.383 45.100 0.188 0.000 0.785 282 G HN 0.235 8.525 8.290 -0.000 0.000 0.536 283 C N -1.892 117.474 119.300 0.110 0.000 3.171 283 C HA 0.736 5.199 4.460 0.004 0.000 0.308 283 C C 1.676 176.729 174.990 0.105 0.000 1.334 283 C CA -0.363 58.733 59.018 0.130 0.000 1.473 283 C CB 1.368 29.231 27.740 0.205 0.000 1.866 283 C HN 0.274 8.504 8.230 -0.000 0.000 0.465 284 A N 0.620 123.500 122.820 0.100 0.000 1.898 284 A HA 0.143 4.466 4.320 0.004 0.000 0.216 284 A C 0.587 178.222 177.584 0.085 0.000 1.181 284 A CA 1.380 53.463 52.037 0.077 0.000 0.620 284 A CB -0.221 18.813 19.000 0.055 0.000 0.819 284 A HN 0.738 8.888 8.150 -0.000 0.000 0.442 285 L N 1.376 122.665 121.223 0.110 0.000 2.316 285 L HA 0.292 4.634 4.340 0.004 0.000 0.280 285 L C 0.407 177.375 176.870 0.164 0.000 1.006 285 L CA -0.702 54.211 54.840 0.123 0.000 0.836 285 L CB 1.752 43.876 42.059 0.109 0.000 1.221 285 L HN 0.425 8.655 8.230 -0.000 0.000 0.418 286 S N 1.519 117.292 115.700 0.121 0.000 2.641 286 S HA 0.074 4.547 4.470 0.004 0.000 0.261 286 S C 0.968 175.564 174.600 -0.005 0.000 1.257 286 S CA -0.358 57.866 58.200 0.041 0.000 0.983 286 S CB 0.768 64.062 63.200 0.157 0.000 0.990 286 S HN 0.737 9.047 8.310 -0.000 0.000 0.572 287 Q N -0.287 119.329 119.800 -0.307 0.000 2.224 287 Q HA -0.078 4.265 4.340 0.004 0.000 0.203 287 Q C 1.381 177.172 176.000 -0.348 0.000 0.970 287 Q CA 1.372 56.940 55.803 -0.393 0.000 0.865 287 Q CB -0.777 27.540 28.738 -0.702 0.000 0.922 287 Q HN 0.735 9.005 8.270 -0.000 0.000 0.445 288 F N 1.981 121.927 119.950 -0.007 0.000 2.206 288 F HA -0.056 4.473 4.527 0.003 0.000 0.298 288 F C 1.811 177.653 175.800 0.071 0.000 1.090 288 F CA 0.966 58.981 58.000 0.024 0.000 1.323 288 F CB -0.299 38.693 39.000 -0.014 0.000 1.028 288 F HN 0.042 8.342 8.300 -0.000 0.000 0.492 289 D N 0.456 120.977 120.400 0.203 0.000 2.123 289 D HA -0.075 4.567 4.640 0.004 0.000 0.200 289 D C 2.384 178.757 176.300 0.121 0.000 0.976 289 D CA 1.385 55.477 54.000 0.154 0.000 0.831 289 D CB -0.563 40.317 40.800 0.133 0.000 0.974 289 D HN 0.243 8.613 8.370 -0.000 0.000 0.469 290 A N 0.526 123.418 122.820 0.119 0.000 1.902 290 A HA -0.228 4.095 4.320 0.004 0.000 0.217 290 A C 2.039 179.679 177.584 0.094 0.000 1.181 290 A CA 1.790 53.893 52.037 0.109 0.000 0.623 290 A CB -0.879 18.223 19.000 0.170 0.000 0.818 290 A HN 0.266 8.416 8.150 -0.000 0.000 0.443 291 H N -0.208 118.865 119.070 0.005 0.000 2.353 291 H HA -0.021 4.537 4.556 0.003 0.000 0.300 291 H C 1.810 177.149 175.328 0.019 0.000 1.090 291 H CA 1.812 57.854 56.048 -0.010 0.000 1.327 291 H CB -0.192 29.533 29.762 -0.061 0.000 1.383 291 H HN 0.334 8.614 8.280 -0.000 0.000 0.508 292 L N -0.129 121.094 121.223 0.001 0.000 1.994 292 L HA -0.201 4.141 4.340 0.004 0.000 0.208 292 L C 2.653 179.502 176.870 -0.036 0.000 1.071 292 L CA 1.738 56.567 54.840 -0.018 0.000 0.745 292 L CB -0.381 41.725 42.059 0.078 0.000 0.892 292 L HN 0.327 8.557 8.230 -0.000 0.000 0.431 293 R N -0.527 119.976 120.500 0.006 0.000 2.091 293 R HA -0.168 4.174 4.340 0.004 0.000 0.238 293 R C 2.349 178.632 176.300 -0.028 0.000 1.136 293 R CA 1.452 57.558 56.100 0.010 0.000 0.959 293 R CB -0.420 29.890 30.300 0.017 0.000 0.856 293 R HN 0.395 8.665 8.270 -0.000 0.000 0.437 294 A N 1.582 124.364 122.820 -0.063 0.000 1.877 294 A HA -0.139 4.183 4.320 0.004 0.000 0.216 294 A C 2.148 179.673 177.584 -0.098 0.000 1.186 294 A CA 1.589 53.584 52.037 -0.071 0.000 0.620 294 A CB -0.653 18.312 19.000 -0.058 0.000 0.822 294 A HN 0.486 8.636 8.150 -0.000 0.000 0.443 295 I N -3.803 116.650 120.570 -0.196 0.000 3.291 295 I HA 0.129 4.301 4.170 0.004 0.000 0.279 295 I C 1.168 177.239 176.117 -0.077 0.000 1.294 295 I CA 0.923 62.122 61.300 -0.167 0.000 1.428 295 I CB -0.052 37.787 38.000 -0.268 0.000 1.070 295 I HN 0.143 8.353 8.210 -0.000 0.000 0.478 296 L N 1.147 122.341 121.223 -0.048 0.000 2.808 296 L HA 0.242 4.585 4.340 0.004 0.000 0.246 296 L C -0.174 176.706 176.870 0.016 0.000 1.153 296 L CA -0.038 54.802 54.840 0.001 0.000 0.956 296 L CB -0.080 42.001 42.059 0.036 0.000 1.270 296 L HN 0.199 8.429 8.230 -0.000 0.000 0.528 297 D N 0.772 121.171 120.400 -0.003 0.000 2.837 297 D HA -0.179 4.463 4.640 0.004 0.000 0.230 297 D C 0.086 176.389 176.300 0.005 0.000 1.152 297 D CA 0.886 54.886 54.000 0.001 0.000 0.736 297 D CB -1.299 39.504 40.800 0.005 0.000 1.084 297 D HN 0.269 8.639 8.370 -0.000 0.000 0.429 298 L N -0.470 120.757 121.223 0.008 0.000 2.454 298 L HA 0.430 4.773 4.340 0.004 0.000 0.256 298 L C -1.625 175.224 176.870 -0.035 0.000 1.136 298 L CA -1.664 53.173 54.840 -0.006 0.000 0.804 298 L CB 0.386 42.460 42.059 0.026 0.000 1.181 298 L HN -0.303 7.927 8.230 -0.000 0.000 0.469 299 P HA 0.265 4.685 4.420 -0.000 0.000 0.274 299 P C -0.915 176.354 177.300 -0.052 0.000 1.231 299 P CA 0.142 63.203 63.100 -0.065 0.000 0.790 299 P CB 0.579 32.223 31.700 -0.093 0.000 0.951 300 I N 2.711 123.254 120.570 -0.045 0.000 2.719 300 I HA 0.223 4.395 4.170 0.004 0.000 0.275 300 I C -2.417 173.670 176.117 -0.050 0.000 1.228 300 I CA -2.106 59.170 61.300 -0.040 0.000 1.035 300 I CB 1.407 39.386 38.000 -0.035 0.000 1.286 300 I HN 0.064 8.274 8.210 -0.000 0.000 0.531 301 P HA 0.059 4.479 4.420 -0.000 0.000 0.262 301 P C 1.053 178.320 177.300 -0.055 0.000 1.199 301 P CA 0.149 63.221 63.100 -0.046 0.000 0.763 301 P CB 1.150 32.827 31.700 -0.038 0.000 0.790 302 A N 3.857 126.640 122.820 -0.062 0.000 1.986 302 A HA -0.287 4.035 4.320 0.004 0.000 0.220 302 A C 2.106 179.646 177.584 -0.073 0.000 1.171 302 A CA 1.629 53.618 52.037 -0.080 0.000 0.640 302 A CB -0.885 18.073 19.000 -0.069 0.000 0.811 302 A HN 0.609 8.759 8.150 -0.000 0.000 0.451 303 Q N -0.540 119.233 119.800 -0.045 0.000 2.124 303 Q HA -0.124 4.218 4.340 0.004 0.000 0.202 303 Q C 2.202 178.193 176.000 -0.015 0.000 0.977 303 Q CA 1.587 57.375 55.803 -0.025 0.000 0.850 303 Q CB -0.144 28.585 28.738 -0.014 0.000 0.901 303 Q HN 0.662 8.932 8.270 -0.000 0.000 0.429 304 S N 0.474 116.164 115.700 -0.017 0.000 2.493 304 S HA -0.073 4.399 4.470 0.004 0.000 0.243 304 S C 1.464 176.079 174.600 0.025 0.000 0.991 304 S CA 0.709 58.915 58.200 0.009 0.000 0.957 304 S CB -0.033 63.170 63.200 0.005 0.000 0.756 304 S HN 0.338 8.648 8.310 -0.000 0.000 0.521 305 L N 0.419 121.605 121.223 -0.061 0.000 2.616 305 L HA 0.255 4.597 4.340 0.004 0.000 0.229 305 L C 0.342 177.199 176.870 -0.022 0.000 1.110 305 L CA 0.134 54.855 54.840 -0.197 0.000 0.884 305 L CB -0.144 41.564 42.059 -0.585 0.000 1.115 305 L HN 0.197 8.427 8.230 -0.000 0.000 0.481 306 E N 1.038 121.257 120.200 0.030 0.000 2.343 306 E HA 0.292 4.644 4.350 0.004 0.000 0.269 306 E C -0.606 176.078 176.600 0.141 0.000 1.047 306 E CA -0.703 55.744 56.400 0.077 0.000 0.874 306 E CB 1.831 31.557 29.700 0.044 0.000 1.033 306 E HN -0.010 8.350 8.360 -0.000 0.000 0.409 307 I N 3.064 123.737 120.570 0.171 0.000 2.533 307 I HA -0.047 4.126 4.170 0.004 0.000 0.284 307 I C 1.602 177.799 176.117 0.133 0.000 1.109 307 I CA 0.567 61.984 61.300 0.196 0.000 1.412 307 I CB 0.376 38.492 38.000 0.193 0.000 1.396 307 I HN 0.466 8.676 8.210 -0.000 0.000 0.543 308 R N 4.140 124.719 120.500 0.131 0.000 2.057 308 R HA 0.026 4.368 4.340 0.004 0.000 0.229 308 R C -0.001 176.355 176.300 0.092 0.000 1.136 308 R CA 1.047 57.206 56.100 0.100 0.000 0.952 308 R CB -0.057 30.302 30.300 0.097 0.000 0.848 308 R HN 0.638 8.908 8.270 -0.000 0.000 0.430 309 Q N -0.638 119.225 119.800 0.105 0.000 2.511 309 Q HA 0.386 4.728 4.340 0.004 0.000 0.289 309 Q C -2.774 173.286 176.000 0.100 0.000 1.021 309 Q CA -2.402 53.456 55.803 0.093 0.000 0.785 309 Q CB 2.453 31.243 28.738 0.088 0.000 1.472 309 Q HN -0.087 8.183 8.270 -0.000 0.000 0.411 310 P HA 0.049 4.469 4.420 -0.000 0.000 0.271 310 P C -1.055 176.292 177.300 0.079 0.000 1.216 310 P CA 0.129 63.271 63.100 0.071 0.000 0.776 310 P CB 0.786 32.527 31.700 0.067 0.000 0.881 311 S N 1.642 117.377 115.700 0.058 0.000 2.651 311 S HA 0.798 5.270 4.470 0.004 0.000 0.279 311 S C -0.908 173.685 174.600 -0.012 0.000 1.148 311 S CA -0.846 57.391 58.200 0.062 0.000 0.837 311 S CB 1.167 64.446 63.200 0.131 0.000 1.138 311 S HN 0.239 8.549 8.310 -0.000 0.000 0.478 312 I N 1.563 122.113 120.570 -0.032 0.000 2.512 312 I HA 0.349 4.521 4.170 0.004 0.000 0.287 312 I C -0.662 175.386 176.117 -0.115 0.000 1.069 312 I CA -0.481 60.710 61.300 -0.182 0.000 1.056 312 I CB 2.058 39.907 38.000 -0.253 0.000 1.229 312 I HN 0.615 8.825 8.210 -0.000 0.000 0.429 313 M N 6.724 126.249 119.600 -0.125 0.000 2.367 313 M HA 0.537 5.019 4.480 0.004 0.000 0.339 313 M C -1.857 174.408 176.300 -0.058 0.000 1.177 313 M CA -0.661 54.626 55.300 -0.022 0.000 1.068 313 M CB 2.041 34.649 32.600 0.014 0.000 1.602 313 M HN 0.517 8.807 8.290 -0.000 0.000 0.457 314 L N 5.192 126.428 121.223 0.022 0.000 2.356 314 L HA 0.502 4.844 4.340 0.004 0.000 0.277 314 L C -0.792 176.117 176.870 0.065 0.000 0.996 314 L CA -0.339 54.507 54.840 0.010 0.000 0.822 314 L CB 1.540 43.602 42.059 0.005 0.000 1.256 314 L HN 0.688 8.918 8.230 -0.000 0.000 0.413 315 N N 4.080 122.811 118.700 0.051 0.000 2.467 315 N HA 0.434 5.176 4.740 0.004 0.000 0.262 315 N C -0.871 174.665 175.510 0.044 0.000 1.234 315 N CA 0.065 53.161 53.050 0.078 0.000 0.952 315 N CB 1.160 39.687 38.487 0.066 0.000 1.158 315 N HN 0.564 8.944 8.380 -0.000 0.000 0.463 316 I N 2.386 122.966 120.570 0.017 0.000 2.382 316 I HA 0.248 4.420 4.170 0.004 0.000 0.285 316 I C -0.724 175.400 176.117 0.012 0.000 1.007 316 I CA -0.554 60.750 61.300 0.006 0.000 1.142 316 I CB 1.063 39.048 38.000 -0.025 0.000 1.289 316 I HN 0.156 8.366 8.210 -0.000 0.000 0.453 317 I N 5.263 125.850 120.570 0.029 0.000 2.404 317 I HA 0.377 4.549 4.170 0.004 0.000 0.293 317 I C 0.953 177.077 176.117 0.012 0.000 0.992 317 I CA -0.751 60.561 61.300 0.020 0.000 1.149 317 I CB 1.359 39.376 38.000 0.029 0.000 1.315 317 I HN 0.529 8.739 8.210 -0.000 0.000 0.446 318 G N 4.105 112.879 108.800 -0.044 0.000 2.391 318 G HA2 0.405 4.368 3.960 0.004 0.000 0.234 318 G HA3 0.405 4.368 3.960 0.004 0.000 0.234 318 G C 0.356 175.252 174.900 -0.005 0.000 1.284 318 G CA 0.226 45.280 45.100 -0.077 0.000 0.873 318 G HN 0.842 9.132 8.290 -0.000 0.000 0.549 319 G N 0.034 108.848 108.800 0.023 0.000 3.211 319 G HA2 0.600 4.562 3.960 0.004 0.000 0.167 319 G HA3 0.600 4.562 3.960 0.004 0.000 0.167 319 G C 1.277 176.191 174.900 0.023 0.000 1.212 319 G CA 0.499 45.615 45.100 0.027 0.000 0.928 319 G HN 1.018 9.308 8.290 -0.000 0.000 0.607 320 A N -0.470 122.365 122.820 0.024 0.000 1.877 320 A HA 0.417 4.739 4.320 0.004 0.000 0.216 320 A C 1.724 179.324 177.584 0.026 0.000 1.186 320 A CA 2.102 54.151 52.037 0.021 0.000 0.620 320 A CB -0.931 18.080 19.000 0.019 0.000 0.822 320 A HN 1.602 9.752 8.150 -0.000 0.000 0.443 321 A N 0.040 122.883 122.820 0.037 0.000 2.276 321 A HA 0.555 4.878 4.320 0.004 0.000 0.300 321 A C -1.257 176.372 177.584 0.075 0.000 1.235 321 A CA -1.476 50.588 52.037 0.045 0.000 0.867 321 A CB 0.279 19.302 19.000 0.038 0.000 1.137 321 A HN 0.232 8.382 8.150 -0.000 0.000 0.527 322 P HA -0.175 4.245 4.420 -0.000 0.000 0.229 322 P C -0.171 177.239 177.300 0.182 0.000 1.147 322 P CA 1.748 64.898 63.100 0.084 0.000 0.766 322 P CB -0.048 31.683 31.700 0.052 0.000 0.775 323 D N -4.860 115.635 120.400 0.158 0.000 2.486 323 D HA 0.012 4.654 4.640 0.004 0.000 0.243 323 D C 1.451 177.765 176.300 0.023 0.000 1.146 323 D CA 0.004 54.062 54.000 0.096 0.000 0.821 323 D CB -1.027 39.784 40.800 0.019 0.000 1.201 323 D HN -0.183 8.187 8.370 -0.000 0.000 0.525 324 T N 1.028 115.650 114.554 0.113 0.000 2.536 324 T HA -0.306 4.047 4.350 0.004 0.000 0.263 324 T C 1.723 176.452 174.700 0.048 0.000 1.115 324 T CA 2.336 64.480 62.100 0.074 0.000 1.180 324 T CB -0.796 68.133 68.868 0.102 0.000 0.864 324 T HN 0.525 8.765 8.240 -0.000 0.000 0.419 325 H N 1.390 120.451 119.070 -0.015 0.000 2.501 325 H HA -0.071 4.487 4.556 0.004 0.000 0.296 325 H C 2.045 177.353 175.328 -0.034 0.000 1.115 325 H CA 1.190 57.222 56.048 -0.025 0.000 1.242 325 H CB -1.058 28.686 29.762 -0.029 0.000 1.363 325 H HN 0.386 8.666 8.280 -0.000 0.000 0.537 326 L N 0.169 120.992 121.223 -0.667 0.000 2.478 326 L HA -0.076 4.266 4.340 0.004 0.000 0.223 326 L C 2.623 179.364 176.870 -0.214 0.000 1.140 326 L CA 0.648 55.202 54.840 -0.477 0.000 0.842 326 L CB -0.159 41.618 42.059 -0.470 0.000 0.953 326 L HN 0.291 8.521 8.230 -0.000 0.000 0.452 327 Q N -0.391 119.322 119.800 -0.145 0.000 2.123 327 Q HA -0.042 4.300 4.340 0.004 0.000 0.196 327 Q C 2.528 178.491 176.000 -0.063 0.000 0.958 327 Q CA 1.079 56.834 55.803 -0.081 0.000 0.841 327 Q CB -0.089 28.618 28.738 -0.053 0.000 0.915 327 Q HN 0.501 8.771 8.270 -0.000 0.000 0.455 328 A N 1.690 124.478 122.820 -0.054 0.000 1.884 328 A HA -0.250 4.072 4.320 0.004 0.000 0.219 328 A C 2.326 179.880 177.584 -0.049 0.000 1.197 328 A CA 2.059 54.076 52.037 -0.033 0.000 0.637 328 A CB -0.967 18.025 19.000 -0.014 0.000 0.827 328 A HN 0.408 8.558 8.150 -0.000 0.000 0.450 329 A N -0.444 122.329 122.820 -0.078 0.000 1.933 329 A HA -0.143 4.179 4.320 0.004 0.000 0.218 329 A C 1.990 179.530 177.584 -0.073 0.000 1.175 329 A CA 1.994 53.982 52.037 -0.082 0.000 0.628 329 A CB -0.504 18.428 19.000 -0.113 0.000 0.814 329 A HN 0.738 8.888 8.150 -0.000 0.000 0.444 330 E N -0.720 119.434 120.200 -0.075 0.000 2.150 330 E HA -0.184 4.168 4.350 0.004 0.000 0.193 330 E C 1.898 178.471 176.600 -0.046 0.000 0.985 330 E CA 1.322 57.685 56.400 -0.061 0.000 0.814 330 E CB -0.569 29.094 29.700 -0.062 0.000 0.752 330 E HN 0.528 8.888 8.360 -0.000 0.000 0.466 331 C N 0.298 119.574 119.300 -0.039 0.000 2.432 331 C HA -0.004 4.458 4.460 0.004 0.000 0.277 331 C C 2.876 177.849 174.990 -0.027 0.000 1.249 331 C CA 1.378 60.380 59.018 -0.027 0.000 1.725 331 C CB -1.358 26.370 27.740 -0.020 0.000 2.028 331 C HN 0.642 8.872 8.230 -0.000 0.000 0.477 332 A N 0.518 123.319 122.820 -0.031 0.000 1.948 332 A HA -0.160 4.162 4.320 0.004 0.000 0.220 332 A C 2.217 179.779 177.584 -0.037 0.000 1.177 332 A CA 2.052 54.071 52.037 -0.030 0.000 0.636 332 A CB -0.873 18.106 19.000 -0.036 0.000 0.815 332 A HN 0.717 8.867 8.150 -0.000 0.000 0.449 333 L N -0.577 120.620 121.223 -0.043 0.000 2.051 333 L HA -0.232 4.110 4.340 0.004 0.000 0.214 333 L C 2.261 179.106 176.870 -0.041 0.000 1.076 333 L CA 1.831 56.645 54.840 -0.045 0.000 0.758 333 L CB -0.341 41.692 42.059 -0.044 0.000 0.890 333 L HN 0.352 8.582 8.230 -0.000 0.000 0.433 334 S N -0.961 114.718 115.700 -0.036 0.000 2.575 334 S HA 0.213 4.685 4.470 0.004 0.000 0.215 334 S C 0.645 175.219 174.600 -0.042 0.000 0.966 334 S CA -0.241 57.938 58.200 -0.036 0.000 0.911 334 S CB 0.164 63.349 63.200 -0.026 0.000 0.780 334 S HN 0.071 8.381 8.310 -0.000 0.000 0.514 335 I N 3.591 124.134 120.570 -0.045 0.000 2.474 335 I HA 0.297 4.469 4.170 0.004 0.000 0.287 335 I C -2.434 173.613 176.117 -0.117 0.000 1.048 335 I CA -2.982 58.284 61.300 -0.056 0.000 1.383 335 I CB 0.075 38.059 38.000 -0.027 0.000 1.412 335 I HN -0.113 8.097 8.210 -0.000 0.000 0.531 336 P HA 0.177 4.597 4.420 -0.000 0.000 0.271 336 P C 0.051 177.154 177.300 -0.328 0.000 1.216 336 P CA 0.140 63.036 63.100 -0.341 0.000 0.776 336 P CB 0.328 31.635 31.700 -0.656 0.000 0.881 337 N N -1.440 117.148 118.700 -0.186 0.000 2.778 337 N HA -0.203 4.539 4.740 0.004 0.000 0.249 337 N C -0.202 175.293 175.510 -0.023 0.000 1.069 337 N CA 1.446 54.447 53.050 -0.082 0.000 0.831 337 N CB -1.927 36.529 38.487 -0.052 0.000 1.142 337 N HN 0.593 8.973 8.380 -0.000 0.000 0.573 338 A N -0.117 122.680 122.820 -0.038 0.000 2.269 338 A HA 0.574 4.896 4.320 0.004 0.000 0.302 338 A C 0.413 177.999 177.584 0.003 0.000 1.266 338 A CA -0.058 51.979 52.037 -0.001 0.000 0.894 338 A CB 0.767 19.760 19.000 -0.012 0.000 1.147 338 A HN 0.108 8.258 8.150 -0.000 0.000 0.537 339 S N 2.473 118.199 115.700 0.044 0.000 2.438 339 S HA 0.568 5.040 4.470 0.004 0.000 0.293 339 S C -0.122 174.501 174.600 0.038 0.000 1.141 339 S CA -0.396 57.820 58.200 0.026 0.000 1.080 339 S CB -0.084 63.175 63.200 0.098 0.000 0.978 339 S HN 0.528 8.838 8.310 -0.000 0.000 0.479 340 I N 4.843 125.359 120.570 -0.090 0.000 2.428 340 I HA 0.392 4.565 4.170 0.004 0.000 0.296 340 I C -0.008 175.922 176.117 -0.312 0.000 0.985 340 I CA -0.603 60.630 61.300 -0.112 0.000 1.260 340 I CB 1.030 38.961 38.000 -0.115 0.000 1.389 340 I HN 0.525 8.735 8.210 -0.000 0.000 0.484 341 H N 6.904 125.779 119.070 -0.326 0.000 2.970 341 H HA 0.447 5.005 4.556 0.003 0.000 0.315 341 H C -0.994 174.137 175.328 -0.328 0.000 0.992 341 H CA -0.567 55.279 56.048 -0.338 0.000 1.363 341 H CB 1.702 31.082 29.762 -0.637 0.000 1.532 341 H HN 0.333 8.613 8.280 -0.000 0.000 0.514 342 L N 2.633 123.798 121.223 -0.096 0.000 2.322 342 L HA 0.253 4.596 4.340 0.004 0.000 0.279 342 L C 0.800 177.724 176.870 0.090 0.000 1.036 342 L CA -0.681 54.093 54.840 -0.109 0.000 0.807 342 L CB 1.453 43.481 42.059 -0.052 0.000 1.226 342 L HN 0.664 8.894 8.230 -0.000 0.000 0.433 343 Y N -0.082 120.224 120.300 0.010 0.000 2.511 343 Y HA -0.080 4.472 4.550 0.003 0.000 0.279 343 Y C 1.645 177.538 175.900 -0.011 0.000 1.157 343 Y CA -0.001 58.096 58.100 -0.005 0.000 1.300 343 Y CB 0.547 39.013 38.460 0.009 0.000 1.052 343 Y HN 0.847 9.127 8.280 -0.000 0.000 0.529 344 S N 0.468 116.257 115.700 0.149 0.000 3.641 344 S HA -0.237 4.236 4.470 0.004 0.000 0.346 344 S C 0.822 175.469 174.600 0.078 0.000 1.074 344 S CA 0.802 59.051 58.200 0.082 0.000 1.026 344 S CB -1.172 62.052 63.200 0.041 0.000 0.908 344 S HN 0.600 8.910 8.310 -0.000 0.000 0.479 345 K N 0.277 120.740 120.400 0.106 0.000 2.426 345 K HA 0.326 4.648 4.320 0.004 0.000 0.193 345 K C 1.776 178.404 176.600 0.048 0.000 1.028 345 K CA 0.410 56.745 56.287 0.081 0.000 1.047 345 K CB -0.005 32.563 32.500 0.114 0.000 0.821 345 K HN 0.744 8.994 8.250 -0.000 0.000 0.513 346 G N 1.662 110.494 108.800 0.053 0.000 2.536 346 G HA2 -0.388 3.574 3.960 0.004 0.000 0.280 346 G HA3 -0.388 3.574 3.960 0.004 0.000 0.280 346 G C -0.079 174.833 174.900 0.021 0.000 1.152 346 G CA -0.224 44.901 45.100 0.043 0.000 0.970 346 G HN 0.423 8.713 8.290 -0.000 0.000 0.549 347 A N 0.670 123.498 122.820 0.012 0.000 2.553 347 A HA 0.576 4.898 4.320 0.004 0.000 0.258 347 A C 1.023 178.575 177.584 -0.053 0.000 1.069 347 A CA 1.616 53.651 52.037 -0.005 0.000 0.767 347 A CB -0.633 18.369 19.000 0.002 0.000 0.997 347 A HN 2.431 10.581 8.150 -0.000 0.000 0.512 348 A N 3.939 126.689 122.820 -0.117 0.000 2.401 348 A HA 0.567 4.889 4.320 0.004 0.000 0.259 348 A C 0.451 177.972 177.584 -0.105 0.000 1.103 348 A CA -0.121 51.771 52.037 -0.241 0.000 0.789 348 A CB 0.341 19.024 19.000 -0.528 0.000 1.035 348 A HN 0.819 8.969 8.150 -0.000 0.000 0.491 349 K N 2.132 122.483 120.400 -0.083 0.000 2.371 349 K HA 0.474 4.796 4.320 0.004 0.000 0.251 349 K C -2.933 173.646 176.600 -0.035 0.000 0.934 349 K CA -2.148 54.116 56.287 -0.038 0.000 0.798 349 K CB 2.074 34.562 32.500 -0.020 0.000 1.204 349 K HN 0.336 8.586 8.250 -0.000 0.000 0.427 350 P HA -0.052 4.368 4.420 -0.000 0.000 0.261 350 P C 0.362 177.659 177.300 -0.006 0.000 1.183 350 P CA 1.003 64.098 63.100 -0.008 0.000 0.761 350 P CB 0.371 32.072 31.700 0.002 0.000 0.785 351 G N 2.145 110.943 108.800 -0.002 0.000 2.148 351 G HA2 -0.304 3.658 3.960 0.004 0.000 0.254 351 G HA3 -0.304 3.658 3.960 0.004 0.000 0.254 351 G C 0.325 175.229 174.900 0.007 0.000 0.981 351 G CA -0.218 44.886 45.100 0.005 0.000 0.670 351 G HN 0.696 8.986 8.290 -0.000 0.000 0.528 352 R N 0.558 121.054 120.500 -0.007 0.000 2.441 352 R HA 0.440 4.782 4.340 0.004 0.000 0.284 352 R C 0.147 176.461 176.300 0.023 0.000 1.070 352 R CA -0.558 55.547 56.100 0.008 0.000 1.047 352 R CB 0.316 30.611 30.300 -0.008 0.000 1.016 352 R HN 0.156 8.426 8.270 -0.000 0.000 0.477 353 K N 4.639 125.091 120.400 0.087 0.000 2.262 353 K HA 0.095 4.417 4.320 0.004 0.000 0.288 353 K C 0.516 177.210 176.600 0.157 0.000 1.090 353 K CA -0.172 56.197 56.287 0.136 0.000 0.918 353 K CB 0.733 33.373 32.500 0.233 0.000 1.139 353 K HN 0.427 8.677 8.250 -0.000 0.000 0.462 354 M N 1.198 120.796 119.600 -0.002 0.000 2.465 354 M HA 0.161 4.643 4.480 0.004 0.000 0.249 354 M C 0.791 176.839 176.300 -0.420 0.000 1.130 354 M CA 0.227 55.480 55.300 -0.078 0.000 1.067 354 M CB 0.351 32.878 32.600 -0.121 0.000 1.394 354 M HN 0.736 9.026 8.290 -0.000 0.000 0.483 355 G N -0.339 107.993 108.800 -0.779 0.000 2.313 355 G HA2 0.368 4.330 3.960 0.004 0.000 0.296 355 G HA3 0.368 4.330 3.960 0.004 0.000 0.296 355 G C -1.615 172.948 174.900 -0.562 0.000 1.356 355 G CA -0.845 43.439 45.100 -1.359 0.000 0.833 355 G HN 0.447 8.737 8.290 -0.000 0.000 0.552 356 H N -1.460 117.399 119.070 -0.350 0.000 3.008 356 H HA 0.737 5.295 4.556 0.003 0.000 0.354 356 H C -1.711 173.620 175.328 0.005 0.000 1.252 356 H CA -1.076 54.925 56.048 -0.078 0.000 1.117 356 H CB 1.978 31.771 29.762 0.051 0.000 1.857 356 H HN 0.552 8.832 8.280 -0.000 0.000 0.547 357 I N 2.526 123.184 120.570 0.147 0.000 2.447 357 I HA 0.181 4.353 4.170 0.004 0.000 0.287 357 I C -0.381 175.858 176.117 0.205 0.000 1.023 357 I CA -0.344 61.030 61.300 0.124 0.000 1.083 357 I CB 1.898 39.930 38.000 0.053 0.000 1.245 357 I HN 0.580 8.790 8.210 -0.000 0.000 0.434 358 T N 5.603 120.300 114.554 0.238 0.000 2.794 358 T HA 0.538 4.890 4.350 0.004 0.000 0.280 358 T C -0.118 174.662 174.700 0.133 0.000 0.987 358 T CA -0.406 61.816 62.100 0.203 0.000 0.993 358 T CB 2.141 71.160 68.868 0.253 0.000 0.939 358 T HN 0.231 8.471 8.240 -0.000 0.000 0.449 359 V N 4.445 124.417 119.914 0.096 0.000 2.409 359 V HA 0.562 4.685 4.120 0.004 0.000 0.291 359 V C 0.568 176.723 176.094 0.103 0.000 1.020 359 V CA -0.789 61.563 62.300 0.086 0.000 0.848 359 V CB 1.748 33.617 31.823 0.078 0.000 0.990 359 V HN 1.111 9.301 8.190 -0.000 0.000 0.430 360 T N 2.103 116.723 114.554 0.111 0.000 2.948 360 T HA 0.970 5.322 4.350 0.004 0.000 0.285 360 T C -0.295 174.494 174.700 0.149 0.000 1.019 360 T CA -0.328 61.843 62.100 0.119 0.000 1.013 360 T CB 2.284 71.219 68.868 0.110 0.000 1.117 360 T HN 1.320 9.560 8.240 -0.000 0.000 0.533 361 A N 1.145 124.042 122.820 0.128 0.000 2.586 361 A HA 0.729 5.051 4.320 0.004 0.000 0.291 361 A C -2.559 175.081 177.584 0.094 0.000 1.062 361 A CA -1.335 50.782 52.037 0.135 0.000 0.666 361 A CB 0.690 19.762 19.000 0.120 0.000 1.281 361 A HN 0.526 8.676 8.150 -0.000 0.000 0.421 362 P HA 0.018 4.438 4.420 -0.000 0.000 0.223 362 P C 0.592 177.930 177.300 0.065 0.000 1.151 362 P CA 1.771 64.913 63.100 0.070 0.000 0.787 362 P CB -0.047 31.691 31.700 0.064 0.000 0.788 363 T N -4.735 109.858 114.554 0.065 0.000 2.906 363 T HA 0.447 4.799 4.350 0.004 0.000 0.295 363 T C 0.691 175.431 174.700 0.067 0.000 1.061 363 T CA -0.785 61.358 62.100 0.070 0.000 1.000 363 T CB 1.622 70.543 68.868 0.089 0.000 1.103 363 T HN -0.309 7.931 8.240 -0.000 0.000 0.486 364 M N 1.211 120.859 119.600 0.079 0.000 2.159 364 M HA -0.087 4.395 4.480 0.004 0.000 0.263 364 M C 2.000 178.337 176.300 0.062 0.000 1.063 364 M CA 1.751 57.100 55.300 0.082 0.000 1.110 364 M CB -1.195 31.462 32.600 0.095 0.000 1.374 364 M HN 0.909 9.199 8.290 -0.000 0.000 0.411 365 H N -0.582 118.492 119.070 0.006 0.000 2.290 365 H HA -0.218 4.340 4.556 0.003 0.000 0.298 365 H C 1.956 177.252 175.328 -0.053 0.000 1.087 365 H CA 2.317 58.358 56.048 -0.012 0.000 1.291 365 H CB -0.188 29.564 29.762 -0.017 0.000 1.369 365 H HN 0.601 8.881 8.280 -0.000 0.000 0.492 366 E N 0.519 120.629 120.200 -0.150 0.000 2.058 366 E HA -0.164 4.188 4.350 0.004 0.000 0.194 366 E C 2.397 178.734 176.600 -0.438 0.000 0.997 366 E CA 1.635 57.853 56.400 -0.303 0.000 0.801 366 E CB -0.351 29.283 29.700 -0.111 0.000 0.746 366 E HN 0.517 8.877 8.360 -0.000 0.000 0.450 367 A N 0.554 123.269 122.820 -0.174 0.000 1.940 367 A HA -0.260 4.062 4.320 0.004 0.000 0.219 367 A C 1.956 179.511 177.584 -0.049 0.000 1.176 367 A CA 1.888 53.901 52.037 -0.039 0.000 0.631 367 A CB -0.652 18.378 19.000 0.050 0.000 0.814 367 A HN 0.437 8.587 8.150 -0.000 0.000 0.446 368 E N -0.765 119.384 120.200 -0.085 0.000 2.051 368 E HA -0.124 4.229 4.350 0.004 0.000 0.192 368 E C 2.079 178.626 176.600 -0.090 0.000 0.991 368 E CA 1.597 57.975 56.400 -0.037 0.000 0.799 368 E CB -0.472 29.225 29.700 -0.005 0.000 0.748 368 E HN 0.573 8.933 8.360 -0.000 0.000 0.449 369 T N 0.716 115.127 114.554 -0.238 0.000 2.607 369 T HA -0.200 4.152 4.350 0.004 0.000 0.267 369 T C 1.620 176.292 174.700 -0.047 0.000 1.049 369 T CA 1.658 63.642 62.100 -0.194 0.000 1.162 369 T CB -0.453 68.218 68.868 -0.328 0.000 0.863 369 T HN 0.225 8.465 8.240 -0.000 0.000 0.424 370 H N 0.376 119.420 119.070 -0.043 0.000 2.289 370 H HA 0.003 4.561 4.556 0.003 0.000 0.296 370 H C 2.282 177.603 175.328 -0.013 0.000 1.091 370 H CA 1.187 57.224 56.048 -0.020 0.000 1.274 370 H CB -0.834 28.922 29.762 -0.011 0.000 1.364 370 H HN 0.298 8.578 8.280 -0.000 0.000 0.490 371 I N 0.737 121.391 120.570 0.139 0.000 2.830 371 I HA -0.210 3.962 4.170 0.004 0.000 0.263 371 I C 2.389 178.534 176.117 0.045 0.000 1.230 371 I CA 0.553 61.895 61.300 0.070 0.000 1.480 371 I CB 0.003 38.026 38.000 0.037 0.000 1.095 371 I HN 0.090 8.300 8.210 -0.000 0.000 0.455 372 Q N 1.684 121.509 119.800 0.041 0.000 2.118 372 Q HA -0.224 4.118 4.340 0.004 0.000 0.211 372 Q C -0.762 175.257 176.000 0.031 0.000 0.998 372 Q CA 2.659 58.483 55.803 0.034 0.000 0.872 372 Q CB -1.421 27.332 28.738 0.024 0.000 0.925 372 Q HN 0.313 8.583 8.270 -0.000 0.000 0.414 373 P HA -0.118 4.302 4.420 -0.000 0.000 0.217 373 P C 1.185 178.497 177.300 0.019 0.000 1.150 373 P CA 0.904 64.018 63.100 0.024 0.000 0.832 373 P CB -0.116 31.598 31.700 0.024 0.000 0.787 374 L N -0.909 120.327 121.223 0.020 0.000 2.093 374 L HA -0.068 4.274 4.340 0.004 0.000 0.208 374 L C 2.164 179.044 176.870 0.016 0.000 1.085 374 L CA 1.631 56.480 54.840 0.014 0.000 0.755 374 L CB -1.017 41.049 42.059 0.012 0.000 0.904 374 L HN -0.144 8.086 8.230 -0.000 0.000 0.435 375 I N -0.473 120.110 120.570 0.022 0.000 2.286 375 I HA -0.266 3.906 4.170 0.004 0.000 0.248 375 I C 1.910 178.043 176.117 0.027 0.000 1.115 375 I CA 1.174 62.489 61.300 0.026 0.000 1.392 375 I CB -0.409 37.613 38.000 0.036 0.000 1.065 375 I HN 0.317 8.527 8.210 -0.000 0.000 0.418 376 D N 0.317 120.732 120.400 0.025 0.000 2.097 376 D HA -0.136 4.506 4.640 0.004 0.000 0.197 376 D C 2.332 178.643 176.300 0.019 0.000 0.984 376 D CA 1.078 55.092 54.000 0.023 0.000 0.826 376 D CB -0.248 40.565 40.800 0.021 0.000 0.973 376 D HN 0.099 8.469 8.370 -0.000 0.000 0.460 377 V N 0.558 120.481 119.914 0.015 0.000 2.343 377 V HA -0.182 3.941 4.120 0.004 0.000 0.247 377 V C 2.570 178.671 176.094 0.013 0.000 1.051 377 V CA 0.964 63.270 62.300 0.011 0.000 1.036 377 V CB -0.174 31.652 31.823 0.006 0.000 0.654 377 V HN 0.052 8.242 8.190 -0.000 0.000 0.451 378 V N -0.194 119.729 119.914 0.015 0.000 2.515 378 V HA -0.217 3.905 4.120 0.004 0.000 0.250 378 V C 2.203 178.311 176.094 0.022 0.000 1.058 378 V CA 2.049 64.360 62.300 0.019 0.000 1.064 378 V CB -0.504 31.331 31.823 0.020 0.000 0.675 378 V HN 0.576 8.766 8.190 -0.000 0.000 0.461 379 D N -0.308 120.106 120.400 0.023 0.000 2.149 379 D HA -0.091 4.551 4.640 0.004 0.000 0.201 379 D C 2.407 178.720 176.300 0.021 0.000 0.972 379 D CA 0.895 54.910 54.000 0.025 0.000 0.835 379 D CB -0.080 40.737 40.800 0.028 0.000 0.966 379 D HN 0.425 8.795 8.370 -0.000 0.000 0.476 380 R N 0.358 120.869 120.500 0.018 0.000 2.070 380 R HA -0.055 4.288 4.340 0.004 0.000 0.233 380 R C 2.313 178.623 176.300 0.016 0.000 1.137 380 R CA 0.739 56.848 56.100 0.016 0.000 0.945 380 R CB -0.261 30.046 30.300 0.013 0.000 0.845 380 R HN 0.202 8.472 8.270 -0.000 0.000 0.430 381 I N 1.455 122.035 120.570 0.017 0.000 2.286 381 I HA -0.186 3.986 4.170 0.004 0.000 0.248 381 I C 1.071 177.201 176.117 0.022 0.000 1.115 381 I CA 0.917 62.229 61.300 0.019 0.000 1.392 381 I CB -0.886 37.127 38.000 0.022 0.000 1.065 381 I HN 0.187 8.397 8.210 -0.000 0.000 0.418 382 R N 0.000 120.514 120.500 0.023 0.000 2.786 382 R HA 0.000 4.342 4.340 0.004 0.000 0.208 382 R CA 0.000 56.114 56.100 0.023 0.000 0.921 382 R CB 0.000 30.313 30.300 0.022 0.000 0.687 382 R HN 0.000 8.270 8.270 -0.000 0.000 0.535