NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8612 8.0544 120.2909 63.1949 32.7461 177.9452 2 R 3.1622 7.9545 117.9033 58.2191 31.8683 173.7090 3 E 3.9395 8.9073 118.7702 59.6231 30.5016 178.9342 4 V 3.8496 7.8304 111.5623 64.8581 31.5314 178.8656 5 C 4.7548 7.9543 113.6693 58.7191 40.0891 175.0967 6 S 4.3635 7.7879 114.4062 58.1948 63.7108 174.4500 7 E 4.0906 7.6665 125.0153 56.5752 29.8066 177.5113 8 Q 4.0843 8.5078 121.3379 54.5092 28.8569 174.5708 9 A 3.5488 8.1425 126.8495 52.3814 18.7881 177.6801 10 E 4.7243 7.9310 116.6790 54.3802 33.7919 174.7393 11 T 4.3437 8.7179 120.4639 63.8566 68.9147 175.7735 12 G 4.1542 8.4265 106.7657 45.3813 0.0000 170.9030 13 P 4.4939 0.0000 0.0000 63.5661 32.2286 177.1659 14 C 4.5678 7.8161 117.1382 57.0140 40.9065 173.5424 15 R 4.2760 8.1236 118.9146 55.9210 30.7471 176.4058 16 A 4.2850 7.6474 119.5428 51.7275 20.7317 177.4033 17 M 4.5203 8.3971 118.7952 53.4415 32.4813 172.5975 18 I 4.6787 8.7314 123.5511 58.7185 39.8490 174.8051 19 S 4.0512 8.7677 122.7836 58.2357 63.8805 173.5832 20 R 4.7519 8.3519 122.0878 54.2488 35.1635 173.6601 21 W 5.5579 9.5693 119.5639 55.3174 32.6528 174.7508 22 Y 5.4922 9.5258 120.6884 55.2082 41.3765 173.9576 23 F 4.6723 10.0586 123.8480 57.7378 40.5727 174.2480 24 D 4.4690 7.5970 126.0360 52.5814 41.6976 177.6358 25 V 3.6064 8.3755 120.5083 64.2845 32.1440 178.0186 26 T 3.9716 8.1411 111.8047 65.1906 68.8967 176.0736 27 E 4.1140 8.3185 115.4167 55.0284 29.9198 178.1962 28 G 4.0949 7.7897 105.3829 46.5328 0.0000 173.4390 29 K 4.6887 6.8798 116.4399 55.0113 36.3305 174.4305 30 C 5.0632 9.0059 120.3654 57.3338 41.6064 172.8287 31 A 5.2812 8.8143 125.4233 49.3585 22.2239 173.5012 32 P 4.3243 0.0000 0.0000 62.4208 32.8385 174.9296 33 F 4.7652 8.7182 115.6378 56.1762 42.0260 172.4302 34 F 4.9771 8.6927 117.5727 55.8813 40.6800 174.7090 35 Y 4.8296 8.8640 125.9855 56.1206 40.6039 176.2907 36 G 4.1261 8.1627 112.9664 45.9642 0.0000 175.1415 37 G 4.0386 7.2518 108.0024 45.2345 0.0000 172.0894 38 C 4.9044 7.3268 112.8072 54.5559 45.4013 174.4537 39 G 3.8691 9.3105 107.9798 48.1823 0.0000 173.1640 40 G 4.0523 10.0885 109.8750 45.9045 0.0000 170.2346 41 N 4.7058 8.1568 120.7069 53.1301 39.3087 174.9581 42 R 3.9582 8.4420 115.2409 58.8522 29.9774 172.6556 43 N 4.3704 7.9988 116.2442 51.9003 37.0212 173.4892 44 N 4.8283 6.2387 116.0346 52.5567 40.2441 172.9489 45 F 5.1864 9.2991 124.6684 55.1920 42.0637 176.8311 46 D 4.6843 9.1253 123.1429 55.7831 39.9788 176.6155 47 T 4.7400 7.8058 109.2661 58.7687 73.2197 174.2833 48 E 3.2021 7.7263 123.9068 59.7224 29.5358 179.0557 49 E 3.8479 7.8793 117.8400 61.5764 29.8367 180.2882 50 Y 4.3806 7.6069 119.3539 60.3678 38.7231 177.0062 51 C 2.8171 8.0219 119.4692 59.6755 44.8586 175.4809 52 M 3.7413 8.1694 120.2431 58.3307 31.2819 178.7329 53 A 3.8998 7.8548 120.2286 54.3663 18.5047 179.3552 54 V 3.5799 6.7191 115.6159 65.2966 31.9817 176.7218 55 C 4.3234 7.7470 113.9325 57.0180 41.2699 174.1308 56 G 3.5860 7.4652 113.5567 45.5159 0.0000 173.3605 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 V 8.05 3.86 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 0.88 0.00 0.00 0.91 0.00 0.00 2 R 7.95 3.16 0.00 2.00 1.87 0.00 3.26 0.00 0.00 3.32 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 3 E 8.91 3.94 0.00 2.07 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 2.40 2.44 0.00 4 V 7.83 3.85 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 0.92 0.00 0.00 1.02 0.00 0.00 5 C 7.95 4.75 0.00 3.00 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 6 S 7.79 4.36 0.00 4.10 4.05 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 7 E 7.67 4.09 0.00 2.16 1.92 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 2.36 2.43 0.00 8 Q 8.51 4.08 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 9 A 8.14 3.55 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.72 0.00 1.93 1.66 0.00 0.00 0.00 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 1.88 0.00 11 T 8.72 4.34 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 1.30 0.00 0.00 12 G 8.43 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 13 P 0.00 4.49 0.00 2.17 2.17 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 14 C 7.82 4.57 0.00 2.94 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 15 R 8.12 4.28 0.00 1.72 1.85 0.00 3.17 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 16 A 7.65 4.28 1.26 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 0.00 0.00 17 M 8.40 4.52 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.80 0.00 18 I 8.73 4.68 2.10 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 1.34 0.62 0.98 0.00 0.00 19 S 8.77 4.05 0.00 3.43 3.30 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 0.00 20 R 8.35 4.75 0.00 0.67 1.64 0.00 3.28 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 21 W 9.57 5.56 0.00 3.56 3.31 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 22 Y 9.53 5.49 0.00 2.96 2.65 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 23 F 10.06 4.67 0.00 2.92 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 24 D 7.60 4.47 0.00 2.28 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 0.00 0.00 0.00 0.00 25 V 8.38 3.61 2.12 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 1.05 0.00 0.00 0.95 0.00 0.00 26 T 8.14 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 1.20 0.00 0.00 27 E 8.32 4.11 0.00 2.03 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 2.25 2.12 0.00 28 G 7.79 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 0.00 0.00 0.00 29 K 6.88 4.69 0.00 1.76 1.83 0.00 1.18 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.34 7.81 30 C 9.01 5.06 0.00 2.92 3.31 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 31 A 8.81 5.28 1.11 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 0.00 0.00 32 P 0.00 4.32 0.00 1.34 0.49 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 33 F 8.72 4.77 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.69 4.98 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.86 4.83 0.00 2.61 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.13 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 0.00 37 G 7.25 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 0.00 0.00 0.00 38 C 7.33 4.90 0.00 3.07 3.12 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 0.00 0.00 0.00 39 G 9.31 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 40 G 10.09 4.05 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 0.00 0.00 0.00 41 N 8.16 4.71 0.00 2.76 2.80 0.00 0.00 5.76 7.66 0.00 0.00 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 R 8.44 3.96 0.00 1.86 1.89 0.00 3.26 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 43 N 8.00 4.37 0.00 2.92 2.85 0.00 0.00 6.90 7.33 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 44 N 6.24 4.83 0.00 2.58 2.42 0.00 0.00 7.10 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 9.30 5.19 0.00 3.22 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 46 D 9.13 4.68 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.74 4.16 0.00 0.00 0.00 0.00 0.00 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 48 E 7.73 3.20 0.00 1.16 1.45 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 0.00 1.80 1.47 0.00 49 E 7.88 3.85 0.00 2.01 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 2.32 1.95 0.00 50 Y 7.61 4.38 0.00 2.99 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 51 C 8.02 2.82 0.00 3.16 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 52 M 8.17 3.74 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 53 A 7.85 3.90 1.30 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 0.00 0.00 0.00 54 V 6.72 3.58 1.22 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 0.77 0.00 0.00 0.23 0.00 0.00 55 C 7.75 4.32 0.00 2.33 1.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00