NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 H 4.6379 8.2876 117.8385 57.3237 30.2952 171.8561 17 S 3.2022 8.7339 108.0216 60.5926 63.2852 171.9245 18 A 4.0492 10.6000 124.6382 55.3151 18.8951 181.1293 19 V 3.4660 7.5543 109.1898 64.1151 31.9872 178.6533 20 M 4.0295 7.9684 117.6544 58.7817 32.0467 178.0161 21 E 4.1617 7.8693 118.8139 59.1889 29.5422 179.4640 22 R 3.9096 7.4857 118.7448 59.2161 30.2115 178.3168 23 L 3.9645 8.6288 120.5994 58.2015 42.1140 178.8510 24 R 3.9364 8.4485 118.5008 59.5392 29.7719 179.0080 25 R 3.9374 7.4532 117.3040 59.2697 30.3416 178.1818 26 R 3.9714 8.1519 118.6672 59.3160 30.1511 178.1603 27 I 3.6489 7.8503 119.4268 64.7910 37.1810 177.7923 28 E 4.0110 8.2169 119.6840 59.1745 29.2710 178.7229 29 L 3.9871 8.4606 120.5552 58.3261 42.1651 178.4044 30 C 4.0176 8.1173 116.0804 63.2535 28.0854 175.5365 31 R 4.0191 8.3822 120.0473 60.0142 29.3182 178.0810 32 R 3.8826 8.5634 118.2353 60.0824 30.4293 177.6769 33 H 4.2356 8.7962 118.3555 59.0701 29.7873 176.2880 34 H 3.8898 9.3359 120.7592 60.2601 29.3323 176.4565 35 S 3.9568 8.3017 113.2146 62.6691 61.9806 176.2512 36 T 3.6733 8.4359 118.0252 67.0927 68.3372 176.2567 37 C 4.2450 7.6086 118.5327 62.5307 28.0199 175.2343 38 E 4.2136 8.4784 117.0808 57.4400 29.4290 177.4454 39 A 4.6916 8.6778 120.4659 52.5390 20.8231 179.1926 40 R 3.9962 7.5579 113.5601 59.5832 29.6502 178.1566 41 Y 4.1974 8.0875 120.3407 60.4124 38.5123 177.6838 42 E 3.8031 8.2471 117.9740 59.1797 29.8410 178.1769 43 A 4.1214 7.3327 118.5862 55.1729 18.8493 179.7451 44 V 3.7607 8.2560 111.2587 63.7239 31.5125 178.8265 45 S 3.9575 7.6431 114.5381 61.7222 62.4191 174.0182 46 P 3.7729 0.0000 0.0000 65.8603 31.1000 176.7735 47 E 3.9429 8.2587 124.0317 59.7879 30.0255 178.9511 48 R 4.1129 7.8532 118.4155 58.6965 30.3715 177.6499 49 L 4.0927 8.7525 120.2833 56.9459 41.6975 177.9156 50 E 4.0913 7.9447 118.7197 58.7169 29.5193 176.7145 51 L 4.4814 7.6892 117.6084 55.4049 42.3101 176.5140 52 E 4.4808 7.8181 117.6750 58.5399 31.1042 177.0732 53 R 4.0799 8.2994 118.9175 58.1208 29.4311 178.2229 54 Q 3.9619 8.0865 118.5830 59.7693 28.9549 179.3581 55 H 4.4292 8.1928 118.5630 59.2953 30.0480 176.7273 56 T 4.1699 7.7971 114.4411 65.4630 68.4316 175.0577 57 F 4.4743 8.3622 123.7526 59.6816 38.9143 176.1289 58 A 4.0308 7.1774 118.4500 53.1833 19.0614 177.5526 59 L 4.4080 7.5221 122.0457 56.7366 44.4631 178.1469 60 H 4.2493 8.7316 119.0220 59.0837 30.4348 176.0848 61 Q 4.3234 7.5375 118.5485 54.2922 26.8717 174.7251 62 R 4.6709 7.0022 121.7682 56.4045 34.6207 177.3314 63 C 3.9149 7.3234 117.0537 61.8084 30.9463 174.8630 64 I 4.1494 7.6869 119.3485 62.1413 37.8071 176.4942 65 Q 4.4312 7.8307 116.4366 55.9176 28.8957 176.0970 66 A 4.5361 7.2683 120.9107 52.2778 19.6823 178.3207 67 K 4.1020 7.5125 118.1675 58.2449 32.1543 177.5967 68 A 4.4671 7.3065 118.6032 52.4053 18.3397 177.5782 69 K 4.3713 7.7956 114.8525 55.3931 34.4048 176.4965 70 R 4.0233 7.4119 121.2140 56.6323 30.7602 175.7276 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 16 H 8.29 4.64 0.00 3.22 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.73 3.20 0.00 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 10.60 4.05 1.34 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 0.00 0.00 0.00 19 V 7.55 3.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 20 M 7.97 4.03 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 21 E 7.87 4.16 0.00 2.30 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 2.33 2.47 0.00 22 R 7.49 3.91 0.00 1.87 2.08 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 23 L 8.63 3.96 0.00 1.76 1.79 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.45 3.94 0.00 1.85 1.98 0.00 3.41 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 25 R 7.45 3.94 0.00 1.89 2.18 0.00 3.27 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 26 R 8.15 3.97 0.00 1.93 2.02 0.00 3.18 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 I 7.85 3.65 2.04 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 1.41 0.38 0.91 0.00 0.00 28 E 8.22 4.01 0.00 2.16 2.19 0.00 0.00 0.00 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 2.38 0.00 29 L 8.46 3.99 0.00 1.85 1.64 0.91 1.07 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 30 C 8.12 4.02 0.00 3.10 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 31 R 8.38 4.02 0.00 2.13 2.00 0.00 3.15 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 32 R 8.56 3.88 0.00 1.97 2.11 0.00 3.51 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 1.66 1.81 0.00 33 H 8.80 4.24 0.00 3.33 3.50 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.34 3.89 0.00 3.23 3.49 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.30 3.96 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 36 T 8.44 3.67 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 C 7.61 4.25 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.21 0.00 2.00 2.05 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 2.42 2.41 0.00 39 A 8.68 4.69 1.36 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 40 R 7.56 4.00 0.00 2.13 2.35 0.00 2.85 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 41 Y 8.09 4.20 0.00 3.00 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 42 E 8.25 3.80 0.00 2.19 1.97 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 2.30 2.42 0.00 43 A 7.33 4.12 1.40 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 0.00 0.00 0.00 44 V 8.26 3.76 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 0.81 0.00 0.00 1.03 0.00 0.00 45 S 7.64 3.96 0.00 3.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.77 0.00 2.00 1.98 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 47 E 8.26 3.94 0.00 1.93 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 0.00 2.29 2.39 0.00 48 R 7.85 4.11 0.00 2.04 1.92 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 49 L 8.75 4.09 0.00 1.60 1.97 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.94 4.09 0.00 2.25 1.98 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 2.25 2.33 0.00 51 L 7.69 4.48 0.00 1.68 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.82 4.48 0.00 1.96 2.05 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 2.21 2.45 0.00 53 R 8.30 4.08 0.00 1.85 1.85 0.00 3.38 0.00 0.00 3.11 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 54 Q 8.09 3.96 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 55 H 8.19 4.43 0.00 3.38 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.80 4.17 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 1.25 0.00 0.00 57 F 8.36 4.47 0.00 3.14 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 58 A 7.18 4.03 1.40 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 0.00 0.00 0.00 59 L 7.52 4.41 0.00 1.71 1.61 0.86 0.92 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 60 H 8.73 4.25 0.00 3.19 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.54 4.32 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 62 R 7.00 4.67 0.00 1.96 1.84 0.00 3.37 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 63 C 7.32 3.91 0.00 3.07 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 64 I 7.69 4.15 1.74 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.77 0.00 0.00 65 Q 7.83 4.43 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 66 A 7.27 4.54 1.34 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 0.00 0.00 0.00 67 K 7.51 4.10 0.00 2.06 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.58 7.81 68 A 7.31 4.47 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 69 K 7.80 4.37 0.00 1.69 1.82 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 70 R 7.41 4.02 0.00 1.89 1.84 0.00 3.23 0.00 0.00 3.55 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00