NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 143 N 4.7533 8.2833 118.1257 52.9024 40.5048 176.0273 144 I 3.7494 7.6791 119.3705 63.4414 36.9532 177.1302 145 N 4.3969 8.8235 121.5977 57.4398 38.1159 181.7815 146 K 4.1775 7.9623 120.8589 59.0276 32.1756 179.2437 147 L 3.9465 7.8505 119.2210 57.6709 41.5950 179.3993 148 K 3.8496 7.6512 118.6572 59.7764 32.3392 178.6873 149 S 4.3779 8.1935 114.7151 60.9033 62.1160 176.0764 150 S 4.2501 8.5075 116.3686 61.2792 62.1065 176.1888 151 I 3.8198 8.3196 123.0286 64.0353 36.3519 178.1664 152 E 3.9479 8.3102 119.7994 59.5905 29.2081 179.5820 153 S 4.1305 7.7486 113.9170 61.6154 62.8631 176.7017 154 T 3.8508 7.6139 118.2925 66.8713 68.1963 176.0783 155 N 4.2633 8.4319 118.4990 56.6335 38.5935 177.3316 156 E 3.6319 8.1618 119.4820 59.1202 29.3910 179.1738 157 A 4.0960 8.1410 121.2632 55.2465 18.3905 179.9274 158 V 3.5436 7.7539 116.7413 65.9301 31.5568 178.3507 159 V 3.7252 7.9355 118.2615 66.1150 31.2816 178.1395 160 K 3.9935 8.1750 118.0899 59.5182 31.8258 179.3640 161 L 4.0046 7.7728 118.8177 57.8166 41.5013 179.5535 162 Q 4.0048 8.2706 118.1444 58.9448 28.6421 178.6362 163 E 3.9887 8.4011 119.7640 59.6993 29.6007 179.5288 164 T 3.8759 8.1093 115.7456 66.4216 68.4772 176.6440 165 A 3.9337 8.2942 123.1806 55.0364 18.4036 179.3956 166 E 3.5485 8.3874 117.4845 59.6011 29.4982 179.9502 167 K 3.9688 7.8802 118.0730 59.4232 31.9689 179.6123 168 T 3.8224 7.5523 116.0089 66.6860 68.4269 176.6839 169 V 3.5761 7.6174 120.0081 66.1797 31.4493 177.7007 170 Y 4.4030 7.6443 116.5261 61.2801 37.8773 178.6827 171 V 3.7266 8.3490 119.4349 65.6296 31.3437 178.1738 172 L 4.0395 7.9257 118.5192 58.0705 41.5542 179.1908 173 T 4.0513 7.9503 114.5056 66.2331 68.4300 176.2191 174 A 4.1951 7.9250 122.0735 55.3588 18.5476 179.1137 175 L 4.1236 7.4786 113.0918 56.8750 42.0483 178.1647 *457 S 4.3968 8.0670 113.8454 58.2882 64.7418 175.5093 458 S 4.1504 7.8086 114.4925 61.4830 63.1921 176.3277 459 Q 3.9903 8.0546 122.7082 59.0533 28.8705 178.1678 460 I 3.7455 7.6454 120.3573 64.5116 37.2611 178.4424 461 S 4.1604 8.2229 116.1221 61.4496 62.6129 176.6289 462 S 4.0895 8.3883 116.2980 61.5935 62.1474 175.9200 463 M 4.0212 8.2810 121.7165 58.8031 31.7093 178.4019 464 N 4.3259 8.1982 116.2411 56.4934 38.6712 177.4803 465 Q 3.9761 7.9630 119.3444 59.1144 28.9557 178.9791 466 S 4.2071 8.1343 115.1689 61.2313 62.9111 176.2969 467 L 3.9543 8.1039 124.1757 58.1018 41.8828 178.6994 468 Q 3.9816 8.3520 119.7017 59.0921 28.8472 178.1915 469 Q 3.8650 8.1999 119.3148 58.8202 28.7270 178.4396 470 S 4.2478 8.0878 114.1404 61.5630 62.4318 176.3059 471 K 3.9419 8.1857 120.9823 59.6830 31.6945 179.1036 472 D 4.2969 8.0902 118.9835 57.6161 40.7718 178.4081 473 Y 4.2431 8.0892 117.4485 61.1399 37.8321 178.5880 474 I 3.8128 8.1770 119.7513 63.6470 38.1644 177.7737 475 K 4.4433 8.0060 122.0106 59.0965 31.9630 178.4398 476 E 3.9556 8.5547 119.5438 59.0334 29.4689 178.5063 477 A 4.0062 8.1319 120.9428 55.2144 18.5136 179.4881 478 Q 3.9134 8.0830 116.4429 59.1562 28.6368 178.8828 479 R 3.8922 7.5901 117.8839 59.8242 30.2648 178.2365 480 L 4.1343 8.2556 118.7298 57.3894 41.4370 179.3155 481 L 3.9571 8.2250 120.8469 58.4608 41.9192 178.5907 482 D 4.0326 8.3195 117.6334 57.5206 40.7916 178.1178 483 T 4.2938 7.3765 111.0302 62.0964 67.4667 174.5262 484 V 3.9002 8.3486 125.7172 63.5295 31.5527 175.2785 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 143 N 8.28 4.75 0.00 2.77 2.93 0.00 0.00 7.02 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.68 3.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.91 0.00 0.00 145 N 8.82 4.40 0.00 2.73 2.81 0.00 0.00 6.94 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.96 4.18 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.53 7.81 147 L 7.85 3.95 0.00 1.78 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.65 3.85 0.00 1.90 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 149 S 8.19 4.38 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.51 4.25 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.32 3.82 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.90 0.00 0.00 152 E 8.31 3.95 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 153 S 7.75 4.13 0.00 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.61 3.85 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 155 N 8.43 4.26 0.00 2.79 2.81 0.00 0.00 7.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.16 3.63 0.00 1.54 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.76 0.00 157 A 8.14 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.75 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 159 V 7.94 3.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.88 0.00 0.00 160 K 8.17 3.99 0.00 2.08 2.10 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.75 1.89 7.81 161 L 7.77 4.00 0.00 1.85 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 8.27 4.00 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 163 E 8.40 3.99 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 164 T 8.11 3.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 165 A 8.29 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.39 3.55 0.00 1.98 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 167 K 7.88 3.97 0.00 1.80 1.92 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.76 7.81 168 T 7.55 3.82 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 169 V 7.62 3.58 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.89 0.00 0.00 170 Y 7.64 4.40 0.00 3.29 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.35 3.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 172 L 7.93 4.04 0.00 1.85 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.95 4.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 174 A 7.93 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.48 4.12 0.00 1.82 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *457 S 8.07 4.40 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 S 7.81 4.15 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 Q 8.05 3.99 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 460 I 7.65 3.75 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.67 0.92 0.00 0.00 461 S 8.22 4.16 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 S 8.39 4.09 0.00 3.97 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 M 8.28 4.02 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 464 N 8.20 4.33 0.00 2.96 2.88 0.00 0.00 7.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 Q 7.96 3.98 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 466 S 8.13 4.21 0.00 4.25 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 467 L 8.10 3.95 0.00 1.85 1.93 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 468 Q 8.35 3.98 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 469 Q 8.20 3.86 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 470 S 8.09 4.25 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 471 K 8.19 3.94 0.00 2.03 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.75 7.81 472 D 8.09 4.30 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 Y 8.09 4.24 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 474 I 8.18 3.81 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.97 0.00 0.00 475 K 8.01 4.44 0.00 2.05 2.02 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.31 7.81 476 E 8.55 3.96 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 477 A 8.13 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 Q 8.08 3.91 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 479 R 7.59 3.89 0.00 1.84 2.21 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 480 L 8.26 4.13 0.00 1.87 1.71 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 481 L 8.22 3.96 0.00 1.91 1.89 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 482 D 8.32 4.03 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 T 7.38 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 484 V 8.35 3.90 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.