NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6964 8.4249 118.2191 52.0745 38.6553 173.7243 2 S 3.9954 8.5762 116.0561 59.0602 63.2006 172.0898 3 Y 4.6403 9.3045 125.4026 55.4932 42.5304 171.6637 4 P 4.9665 0.0000 0.0000 61.5723 32.4219 176.1776 5 G 4.7978 8.1765 119.6198 46.2361 0.0000 172.8508 6 C 4.4877 8.4961 119.8688 55.1493 44.1140 172.2075 7 P 4.1838 0.0000 0.0000 61.9717 31.5126 176.0450 8 S 4.3115 8.6836 113.3278 61.9824 63.5496 177.6744 9 S 4.4762 7.7316 116.9548 56.4527 61.7680 174.7749 10 Y 4.0570 7.5634 121.6694 60.0172 35.0480 171.7549 11 D 4.7572 7.5735 118.7779 53.1542 40.1995 176.2318 12 G 4.4806 7.4610 109.7485 45.8177 0.0000 174.3149 13 Y 4.2652 8.6106 121.1633 58.8904 38.2475 176.7616 14 C 4.3544 7.3512 117.0505 54.6404 41.7255 173.3375 15 L 4.0340 8.1870 125.3055 57.8782 41.9895 179.4090 16 N 4.7907 7.7648 115.5156 53.1236 39.2777 176.7793 17 G 3.9047 7.8663 111.5378 45.5104 0.0000 173.8972 18 G 3.2047 8.2109 111.8483 43.6477 0.0000 172.7068 19 V 4.1338 8.1751 126.7958 60.8832 32.7519 173.8860 20 C 4.7886 8.5793 128.5245 57.7128 39.3318 172.2074 21 M 5.4606 9.0412 124.0040 55.0222 36.4784 174.4450 22 H 5.1336 8.1877 112.7262 53.2426 30.7368 171.1357 23 I 2.9138 7.7372 125.5401 60.1994 36.9430 173.1590 24 E 4.1962 8.4052 125.8392 56.0485 27.4296 175.5896 25 S 4.5461 7.6157 116.2925 56.4308 65.6273 176.4347 26 L 4.2195 8.3579 122.9114 57.5881 43.3099 175.9488 27 D 4.2752 7.3222 118.2227 53.1278 45.6326 176.6175 28 S 3.2472 9.0573 132.1000 59.6763 61.5322 170.5604 29 Y 4.8965 7.9714 121.8515 57.1128 41.0737 174.2102 30 T 4.5861 8.3858 118.2617 61.3363 72.0589 169.3591 31 C 5.2690 8.9499 118.5126 53.1982 37.8272 173.3748 32 N 4.3496 8.8910 123.8221 53.9596 39.3874 175.5723 33 C 4.7244 8.5621 122.2816 56.8326 36.2503 171.4742 34 V 4.2383 7.4228 113.2100 61.0247 35.3182 173.8854 35 I 4.2199 8.2239 122.0522 64.8596 36.1607 175.2833 36 G 4.1466 8.8023 115.4728 45.8926 0.0000 172.0947 37 Y 5.3591 8.5718 117.7480 56.1721 41.5198 174.6251 38 S 4.8822 8.6823 113.3045 57.4235 66.4331 172.8897 39 G 4.3072 7.3319 107.1873 45.4943 0.0000 176.1845 40 D 4.5555 9.0693 124.2010 56.8640 40.9586 176.6303 41 R 4.3854 7.9276 111.6498 55.7127 29.7508 175.9144 42 C 4.5955 8.4453 110.2157 57.9273 38.3395 174.3961 43 Q 3.9547 7.6799 122.1772 59.6491 28.8106 177.9952 44 T 4.2974 7.7095 115.8234 62.3741 66.8673 172.2966 45 R 4.5945 7.7986 122.0105 55.5710 31.1493 176.1642 46 D 4.5340 7.9686 128.5632 55.6870 40.7683 176.9335 47 L 3.1275 7.8545 117.7094 54.7229 41.0847 173.5050 48 R 2.5991 7.9230 117.4610 56.6776 29.3028 176.9297 49 W 4.7246 4.0000 117.5271 53.6688 29.7820 173.6821 50 W 4.2466 8.2670 129.6088 56.1803 23.8236 175.6852 51 E 4.5058 8.2818 115.3274 53.8852 31.5144 174.3929 52 L 4.3654 8.6524 126.0564 56.4232 42.7217 176.5819 53 R 4.1155 7.7210 121.2272 56.2559 30.1788 175.0623 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 N 8.42 4.70 0.00 2.89 2.91 0.00 0.00 6.04 6.63 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 2 S 8.58 4.00 0.00 3.88 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 3 Y 9.30 4.64 0.00 3.26 2.84 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 4 P 0.00 4.97 0.00 1.96 1.91 0.00 3.22 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 5 G 8.18 4.80 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 6 C 8.50 4.49 0.00 2.97 2.89 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 0.00 0.00 0.00 7 P 0.00 4.18 0.00 1.96 1.90 0.00 3.05 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 8 S 8.68 4.31 0.00 3.95 4.01 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 9 S 7.73 4.48 0.00 3.59 3.06 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 0.00 10 Y 7.56 4.06 0.00 3.13 3.19 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 0.00 0.00 0.00 11 D 7.57 4.76 0.00 2.75 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 12 G 7.46 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.61 4.27 0.00 2.84 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 14 C 7.35 4.35 0.00 2.77 2.55 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 0.00 0.00 0.00 15 L 8.19 4.03 0.00 1.62 1.70 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.76 4.79 0.00 2.33 2.54 0.00 0.00 7.21 7.84 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 17 G 7.87 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.21 3.20 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 0.00 0.00 0.00 0.00 19 V 8.18 4.13 2.04 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 0.92 0.00 0.00 0.87 0.00 0.00 20 C 8.58 4.79 0.00 3.10 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 21 M 9.04 5.46 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.51 0.00 22 H 8.19 5.13 0.00 3.27 3.63 0.00 5.90 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.74 2.91 1.70 0.00 0.00 0.78 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 0.31 0.83 0.00 0.00 24 E 8.41 4.20 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 25 S 7.62 4.55 0.00 3.88 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 26 L 8.36 4.22 0.00 1.58 1.71 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.32 4.28 0.00 2.53 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 0.00 0.00 0.00 28 S 9.06 3.25 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 4.90 0.00 2.51 1.79 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 0.00 0.00 0.00 0.00 30 T 8.39 4.59 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 1.22 0.00 0.00 31 C 8.95 5.27 0.00 2.95 3.19 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 0.00 0.00 0.00 32 N 8.89 4.35 0.00 2.76 2.71 0.00 0.00 6.77 8.50 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 33 C 8.56 4.72 0.00 2.96 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 34 V 7.42 4.24 2.20 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 0.60 0.00 0.00 0.20 0.00 0.00 35 I 8.22 4.22 1.85 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 1.40 0.50 0.74 0.00 0.00 36 G 8.80 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 0.00 0.00 0.00 37 Y 8.57 5.36 0.00 3.38 2.90 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 0.00 0.00 0.00 38 S 8.68 4.88 0.00 4.07 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 0.00 39 G 7.33 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 0.00 0.00 0.00 0.00 40 D 9.07 4.56 0.00 2.75 2.80 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 41 R 7.93 4.39 0.00 1.74 1.92 0.00 3.01 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 42 C 8.45 4.60 0.00 2.99 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 43 Q 7.68 3.95 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.49 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 44 T 7.71 4.30 4.47 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 0.00 0.00 0.00 1.26 0.00 0.00 45 R 7.80 4.59 0.00 2.26 1.98 0.00 3.59 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.49 0.00 46 D 7.97 4.53 0.00 3.02 2.60 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 0.00 0.00 0.00 0.00 47 L 7.85 3.13 0.00 1.61 1.56 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.92 2.60 0.00 1.66 1.85 0.00 3.80 0.00 0.00 3.62 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 49 W 4.00 4.72 0.00 2.94 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.27 4.25 0.00 3.11 2.20 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 0.00 51 E 8.28 4.51 0.00 1.38 1.24 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 1.99 2.19 0.00 52 L 8.65 4.37 0.00 1.69 1.78 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.72 4.12 0.00 1.71 1.72 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00