NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1529 8.2549 117.2609 54.7817 31.0457 175.1012 2 P 4.0190 0.0000 0.0000 62.4943 31.8973 176.2290 3 D 4.4237 8.3918 121.5667 56.8035 41.7048 178.5768 4 F 4.3728 7.9696 114.9062 59.6913 37.5972 177.6578 5 C 4.6312 7.3556 116.1340 59.0967 39.9847 174.8208 6 L 4.1968 7.7455 119.1387 54.5870 42.0148 176.9410 7 E 4.1707 7.5306 119.3081 55.3890 30.0377 175.2740 8 P 4.3620 0.0000 0.0000 61.4405 32.0934 174.7122 9 P 3.5644 0.0000 0.0000 62.8069 31.3095 175.2860 10 Y 4.6146 7.7536 121.2691 55.9899 40.3045 175.2869 11 T 4.1533 8.2813 125.5429 64.8947 68.8166 176.1260 12 G 3.8163 6.5813 107.5202 44.2179 0.0000 170.9763 13 P 4.4307 0.0000 0.0000 63.2788 32.2145 176.8043 14 C 4.5450 7.6618 117.2624 56.6439 41.1828 173.6534 15 K 4.3102 8.2038 117.5517 56.2801 31.9481 176.6541 16 A 4.2177 7.8310 122.9459 51.3300 19.9312 177.7521 17 R 4.7473 7.9725 115.9420 54.5819 29.6535 174.9425 18 I 4.4144 7.8634 121.1583 59.3075 40.1739 176.0233 19 I 4.2311 8.3213 128.4784 61.0959 37.8508 175.3326 20 R 4.8634 8.3559 125.2639 54.4973 34.8938 173.5403 21 Y 5.4688 9.4298 116.8479 56.5103 41.5571 175.3192 22 F 5.8034 9.5323 118.0097 55.2307 41.7672 173.1512 23 Y 4.4660 9.9216 122.3310 57.0306 40.3580 173.6906 24 N 4.8518 8.1832 126.1775 51.6764 39.5253 175.0020 25 A 3.8043 8.4473 130.2966 54.6958 19.0174 178.6293 26 K 4.0204 8.1040 116.0863 59.3656 32.4471 177.8257 27 A 4.0291 8.0856 120.7237 52.6963 18.5995 177.6233 28 G 3.8693 8.4192 103.5711 45.5009 0.0000 172.9015 29 L 4.5514 6.9086 117.7713 54.7208 43.9770 174.2756 30 C 5.0242 8.5817 116.4784 56.1223 41.9782 173.1889 31 Q 4.8621 8.0804 120.2128 54.0597 33.0062 174.7039 32 T 4.7498 8.4944 110.6521 61.7175 70.2865 173.6678 33 F 5.0611 9.0427 117.1341 55.8537 42.1305 172.9408 34 V 4.3367 8.3940 119.6803 61.8381 32.3309 174.1546 35 Y 4.7174 8.9238 130.0605 56.2175 40.5538 175.8688 36 G 3.9317 7.8938 112.2804 45.2436 0.0000 175.0959 37 G 3.8004 6.9171 108.6692 44.8160 0.0000 172.1326 38 C 4.9819 6.7962 111.9359 54.7843 44.6301 173.2646 39 R 3.9264 8.8967 116.4987 56.9385 26.9927 176.6067 40 A 4.0472 8.5019 119.6663 52.8921 18.6440 178.6901 41 K 4.3616 8.3008 121.5971 54.8951 34.1919 176.8704 42 R 3.6308 8.1913 117.7097 59.1519 30.3749 177.4825 43 N 4.8834 7.8950 117.7510 51.5370 36.4842 174.2417 44 N 5.0067 6.8847 115.7037 53.1222 41.3364 173.4729 45 F 5.1546 9.6999 125.7324 55.6867 42.6680 176.7885 46 K 4.4040 9.1551 119.7151 57.9562 32.7565 177.5072 47 S 4.1347 7.6693 112.7536 55.6214 66.9727 174.7463 48 A 3.5839 7.1430 124.3743 54.9438 18.0260 179.5960 49 E 3.7269 7.7968 117.3798 59.5476 29.7245 178.4943 50 D 4.1962 8.0130 117.9474 57.2167 41.2705 177.3075 51 C 2.4500 7.7034 118.9430 59.4141 42.3468 175.6084 52 M 3.9245 8.1624 120.6280 58.1854 31.2538 178.6936 53 R 3.8014 7.8316 118.3874 59.5658 30.2583 178.3192 54 T 4.1627 7.4797 114.4908 65.6158 68.8923 175.4810 55 C 4.5596 8.0056 115.1381 56.1673 41.7131 174.2966 56 G 3.6323 7.8626 115.0741 45.6908 0.0000 173.4154 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 R 8.25 4.15 0.00 1.64 1.79 0.00 3.01 0.00 0.00 2.94 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 2 P 0.00 4.02 0.00 0.87 1.76 0.00 3.24 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 3 D 8.39 4.42 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.37 0.00 3.36 3.33 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 5 C 7.36 4.63 0.00 2.91 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 4.20 0.00 1.76 1.76 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.53 4.17 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 8 P 0.00 4.36 0.00 1.99 1.92 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 9 P 0.00 3.56 0.00 0.86 0.49 0.00 3.31 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.75 4.61 0.00 2.78 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.28 4.15 4.06 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 0.00 0.00 1.21 0.00 0.00 12 G 6.58 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.43 0.00 2.16 2.16 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 14 C 7.66 4.54 0.00 2.89 2.96 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 0.00 0.00 0.00 15 K 8.20 4.31 0.00 1.67 1.76 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.35 7.81 16 A 7.83 4.22 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.97 4.75 0.00 1.61 1.80 0.00 3.14 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 18 I 7.86 4.41 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.96 0.00 0.00 19 I 8.32 4.23 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.64 0.00 0.00 20 R 8.36 4.86 0.00 0.82 1.99 0.00 3.42 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 21 Y 9.43 5.47 0.00 3.12 3.02 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 22 F 9.53 5.80 0.00 3.14 2.92 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 23 Y 9.92 4.47 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.18 4.85 0.00 2.35 2.47 0.00 0.00 6.73 7.44 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 25 A 8.45 3.80 1.44 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 0.00 0.00 0.00 26 K 8.10 4.02 0.00 1.70 1.98 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 27 A 8.09 4.03 1.23 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 0.00 0.00 0.00 28 G 8.42 3.87 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 0.00 0.00 0.00 29 L 6.91 4.55 0.00 1.68 1.71 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.58 5.02 0.00 2.90 3.14 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 0.00 0.00 0.00 0.00 31 Q 8.08 4.86 0.00 1.45 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 32 T 8.49 4.75 4.09 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 0.82 0.00 0.00 33 F 9.04 5.06 0.00 3.05 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 34 V 8.39 4.34 2.07 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 0.70 0.00 0.00 0.89 0.00 0.00 35 Y 8.92 4.72 0.00 2.60 2.71 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 36 G 7.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.80 4.98 0.00 3.06 2.99 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 39 R 8.90 3.93 0.00 2.26 2.32 0.00 3.33 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 40 A 8.50 4.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.30 4.36 0.00 1.70 1.83 0.00 1.41 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.08 0.92 7.81 42 R 8.19 3.63 0.00 1.35 0.66 0.00 3.01 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 43 N 7.89 4.88 0.00 3.28 2.88 0.00 0.00 6.94 7.07 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 44 N 6.88 5.01 0.00 2.81 2.67 0.00 0.00 7.09 7.02 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 45 F 9.70 5.15 0.00 3.27 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.16 4.40 0.00 1.85 1.96 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 47 S 7.67 4.13 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.14 3.58 1.07 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 49 E 7.80 3.73 0.00 1.94 1.85 0.00 0.00 0.00 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 2.30 0.00 50 D 8.01 4.20 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.70 2.45 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.16 3.92 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 53 R 7.83 3.80 0.00 1.77 2.04 0.00 3.24 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.48 4.16 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 1.59 0.00 0.00 55 C 8.01 4.56 0.00 2.54 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.86 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00