NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7855 8.4449 117.8627 55.7439 31.1557 173.8880 2 D 4.4734 7.9611 118.8147 53.3209 41.7059 175.1272 3 N 4.2358 9.9905 122.1231 57.2478 39.6117 176.9163 4 Y 4.0931 8.3023 116.0333 60.1527 37.9128 177.5898 5 A 4.8949 8.5333 123.0248 54.0411 18.6198 178.5040 6 D 4.5026 7.6896 115.8616 54.6823 41.5132 176.7959 7 L 4.2108 7.0549 119.9484 54.3420 42.6130 177.3896 8 S 4.4965 8.3360 116.1690 57.4788 64.7225 174.6659 9 D 4.3831 8.6594 125.7098 58.1205 40.6478 179.5370 10 T 3.8418 7.8302 115.2896 66.7828 68.6084 176.4641 11 E 4.0087 8.0810 120.0029 59.0644 29.6005 178.9552 12 L 4.0026 8.5193 120.8752 58.4078 42.2911 179.1463 13 T 3.6383 7.9706 115.7497 66.9337 68.4064 176.5846 14 T 3.8292 7.7355 114.3405 64.8609 67.1182 176.2974 15 L 3.7653 7.6406 120.7094 57.6882 41.6216 179.3151 16 L 4.0988 7.7664 118.8674 57.6580 41.4572 179.5819 17 R 3.8016 7.7312 118.3468 59.4538 29.8350 178.3188 18 R 3.6877 7.2423 117.0285 59.4425 29.9737 177.0768 19 Y 4.3741 6.6143 112.9091 56.8457 38.6461 174.8676 20 N 4.1158 8.3114 116.6938 54.4297 36.5387 174.8834 21 I 4.3187 7.8493 118.8598 58.7467 38.4152 174.7968 22 P 4.3446 0.0000 0.0000 63.3760 31.6964 175.3393 23 H 5.1112 8.2175 115.8534 54.8661 31.7259 173.6450 24 G 4.3575 9.1865 110.3975 44.3894 0.0000 171.5829 25 P 4.3087 0.0000 0.0000 62.4138 31.9948 175.9585 26 V 4.2175 8.1475 122.3871 60.2346 32.2456 175.5382 27 V 4.5279 8.2055 123.3751 60.5165 34.7364 175.5152 28 G 4.0651 9.0521 114.6636 48.9543 0.0000 174.9539 29 S 4.2627 8.2200 113.3195 60.7450 63.3604 174.9216 30 T 4.5227 7.6242 114.1131 62.5701 70.0018 175.4662 31 R 4.1538 9.3844 124.2280 59.5148 30.0538 178.2391 32 R 3.8877 8.0221 117.9780 59.4798 30.2303 177.9283 33 L 3.8760 7.8724 119.4943 58.4749 42.0650 178.4699 34 Y 4.1820 7.6594 116.1290 61.0459 37.9273 178.1487 35 E 4.0359 8.4966 119.8047 59.2555 29.5484 179.3502 36 K 3.9199 8.1715 119.7422 59.2538 32.3425 179.0653 37 K 3.9999 7.9736 118.5729 59.6483 31.9286 179.4303 38 I 3.7522 7.7425 119.8896 64.0770 36.8708 178.2710 39 F 3.5871 7.6947 121.2587 61.0835 38.9797 176.7813 40 E 3.9974 8.1903 117.7389 59.3691 29.7370 177.9869 41 Y 3.9646 7.8255 118.9469 60.8648 38.9687 177.5460 42 E 3.7605 8.3264 119.8016 59.6543 29.2392 179.6456 43 T 3.5588 7.5635 115.2911 66.4676 68.6793 176.1881 44 Q 4.0084 7.5683 119.7889 59.2330 28.5518 179.3956 45 R 3.7734 7.4738 116.6937 59.2135 30.1296 178.8521 46 R 4.0287 7.6375 116.6724 57.9365 30.1241 177.3779 47 R 4.3037 7.8508 122.6429 56.1399 30.4859 175.7729 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 1 H 8.44 4.79 0.00 3.12 3.47 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 7.96 4.47 0.00 2.97 2.72 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 3 N 9.99 4.24 0.00 2.79 2.59 0.00 0.00 7.07 7.47 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 4 Y 8.30 4.09 0.00 3.19 3.17 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 0.00 0.00 0.00 0.00 5 A 8.53 4.89 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 6 D 7.69 4.50 0.00 2.73 2.72 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 7 L 7.05 4.21 0.00 1.84 1.63 1.01 0.79 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 8 S 8.34 4.50 0.00 3.89 3.71 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 9 D 8.66 4.38 0.00 2.71 2.70 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 10 T 7.83 3.84 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 11 E 8.08 4.01 0.00 2.12 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 0.00 2.39 2.36 0.00 12 L 8.52 4.00 0.00 1.82 1.71 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.97 3.64 4.30 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 1.18 0.00 0.00 14 T 7.74 3.83 4.20 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 15 L 7.64 3.77 0.00 2.02 1.91 1.06 0.59 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 16 L 7.77 4.10 0.00 1.56 1.79 0.60 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.73 3.80 0.00 2.01 1.89 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 18 R 7.24 3.69 0.00 1.51 1.13 0.00 3.03 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 19 Y 6.61 4.37 0.00 2.60 1.65 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 20 N 8.31 4.12 0.00 2.80 2.88 0.00 0.00 6.97 7.54 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 21 I 7.85 4.32 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.99 0.00 0.00 22 P 0.00 4.34 0.00 2.07 2.01 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 23 H 8.22 5.11 0.00 3.12 3.38 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.19 4.36 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 0.00 25 P 0.00 4.31 0.00 2.10 2.02 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 26 V 8.15 4.22 1.82 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 0.74 0.00 0.00 0.90 0.00 0.00 27 V 8.21 4.53 2.14 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 1.10 0.00 0.00 0.97 0.00 0.00 28 G 9.05 4.07 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 0.00 29 S 8.22 4.26 0.00 4.01 4.04 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 30 T 7.62 4.52 4.40 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 1.04 0.00 0.00 31 R 9.38 4.15 0.00 1.78 2.00 0.00 3.17 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 32 R 8.02 3.89 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 33 L 7.87 3.88 0.00 1.64 1.48 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.66 4.18 0.00 3.34 2.97 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 35 E 8.50 4.04 0.00 2.18 2.06 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 2.49 2.66 0.00 36 K 8.17 3.92 0.00 1.77 1.87 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 37 K 7.97 4.00 0.00 2.11 1.90 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.66 7.81 38 I 7.74 3.75 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 1.07 0.00 0.00 39 F 7.69 3.59 0.00 2.87 3.05 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 40 E 8.19 4.00 0.00 2.09 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 2.35 0.00 41 Y 7.83 3.96 0.00 3.06 2.70 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 42 E 8.33 3.76 0.00 1.80 1.89 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 2.24 2.56 0.00 43 T 7.56 3.56 4.27 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 1.15 0.00 0.00 44 Q 7.57 4.01 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 45 R 7.47 3.77 0.00 1.63 1.90 0.00 3.28 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 46 R 7.64 4.03 0.00 1.83 1.92 0.00 3.02 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 47 R 7.85 4.30 0.00 1.67 1.77 0.00 3.16 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00