NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9873 8.0549 114.0543 62.4034 33.1536 174.7450 2 V 3.6646 8.7127 121.8089 60.3326 29.9874 171.5527 3 S 4.3423 7.5796 113.7873 58.9073 63.8391 172.6903 4 H 4.7794 8.4114 117.5581 54.4388 31.8817 171.8373 5 F 5.1773 7.0923 113.7085 56.1487 40.2465 173.6442 6 N 5.0092 8.8641 116.3799 54.7029 45.7800 175.9665 7 D 4.6733 7.9837 126.2861 53.3791 39.9705 175.5949 8 C 4.5112 8.7332 119.0636 57.5233 42.1534 173.1696 9 P 4.4437 0.0000 0.0000 62.3354 31.0957 176.7674 10 D 4.4019 8.2619 125.5577 53.0083 42.1536 175.5291 11 S 4.6880 8.6157 118.5164 59.7505 61.5804 171.2475 12 H 4.5692 7.7921 115.0686 57.7518 28.5013 176.6729 13 T 4.2476 7.8346 114.5674 63.5679 67.1769 174.8022 14 Q 4.3169 8.0390 119.9525 58.1949 29.2719 176.3786 15 F 4.6096 8.2140 116.6376 57.5847 39.2461 174.4764 16 C 5.0988 7.8462 116.1400 55.3986 42.9126 173.3803 17 F 4.4850 8.6217 127.0454 60.2557 39.7154 175.6953 18 H 4.4752 7.4765 118.6102 52.6340 29.0942 172.2274 19 G 3.7521 7.4549 106.1979 44.8054 0.0000 170.7628 20 T 4.1637 8.3323 117.9609 64.1079 69.8661 172.4663 21 C 5.3002 8.5814 123.6020 54.8951 41.9368 173.4324 22 R 4.4640 8.8141 124.6372 54.5971 34.1010 173.6919 23 F 4.6568 8.7548 126.5924 55.8873 41.6363 174.5753 24 L 4.1034 8.1756 129.7811 55.4659 41.8799 177.9499 25 V 3.8311 8.2860 126.4329 66.0466 31.8654 177.4376 26 Q 4.0966 8.1246 117.6837 58.4479 29.1946 177.3492 27 E 4.5984 7.2333 114.7174 57.2266 29.5500 176.5674 28 D 4.2721 7.0463 118.1299 52.0532 39.5663 176.9004 29 K 4.2178 7.7814 124.5651 53.9029 36.2527 174.1296 30 P 4.5261 0.0000 0.0000 62.9464 32.5708 176.2580 31 A 4.3225 8.5014 122.2548 51.7593 22.3839 174.6319 32 C 5.3597 8.8930 119.6092 55.4272 43.7439 173.8312 33 V 4.5623 8.2862 120.6401 61.0523 34.2630 174.3532 34 C 4.3112 8.8386 126.9893 57.9595 44.1371 171.6945 35 H 4.2606 8.8777 120.3728 55.8808 28.2888 175.5541 36 S 4.5308 8.5312 114.3309 59.1072 65.4642 175.3716 37 G 4.0824 9.0854 110.6542 46.8665 0.0000 172.5292 38 Y 4.6358 7.9491 115.1093 56.1191 42.4815 173.7892 39 V 4.3872 8.2941 119.4502 62.3695 34.9167 174.9104 40 G 4.2972 8.7113 107.8505 45.1135 0.0000 173.4523 41 A 4.2900 8.4065 120.7010 54.5870 19.1831 179.2285 42 R 4.1451 7.9869 113.5879 57.0028 31.3231 176.6956 43 C 5.1095 8.0777 113.5127 58.1247 36.7202 174.2344 44 E 4.2070 8.3282 118.6406 57.5470 30.6548 176.6711 45 H 4.5092 8.1397 117.4419 53.9755 31.7891 173.1447 46 A 3.3480 7.9024 128.2948 50.1246 19.1103 176.5921 47 D 3.9511 9.0058 121.4219 54.9396 39.9337 173.5872 48 L 3.8858 8.5183 115.3534 55.7472 40.5487 174.3503 49 L 4.5248 7.2005 115.5626 53.1373 42.2219 175.5251 50 A 4.1599 7.9287 125.7128 52.5445 18.3138 177.8879 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 3.99 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 0.89 0.00 0.00 0.92 0.00 0.00 2 V 8.71 3.66 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 0.54 0.00 0.00 0.96 0.00 0.00 3 S 7.58 4.34 0.00 3.83 3.85 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 0.00 0.00 0.00 4 H 8.41 4.78 0.00 2.78 3.20 0.00 5.41 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.09 5.18 0.00 3.06 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 N 8.86 5.01 0.00 2.76 2.87 0.00 0.00 7.01 8.06 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 7 D 7.98 4.67 0.00 2.66 2.64 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 8 C 8.73 4.51 0.00 3.15 3.24 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 0.00 0.00 0.00 9 P 0.00 4.44 0.00 2.15 2.09 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 10 D 8.26 4.40 0.00 1.78 2.25 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 11 S 8.62 4.69 0.00 3.91 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 0.00 12 H 7.79 4.57 0.00 3.36 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.83 4.25 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 1.27 0.00 0.00 14 Q 8.04 4.32 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 15 F 8.21 4.61 0.00 3.21 3.13 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 16 C 7.85 5.10 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.49 0.00 3.07 3.11 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 18 H 7.48 4.48 0.00 2.96 2.97 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.45 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.16 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 1.21 0.00 0.00 21 C 8.58 5.30 0.00 2.91 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 22 R 8.81 4.46 0.00 1.42 0.76 0.00 2.81 0.00 0.00 2.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.36 0.00 23 F 8.75 4.66 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 24 L 8.18 4.10 0.00 1.83 1.41 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.29 3.83 2.17 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 0.85 0.00 0.00 1.28 0.00 0.00 26 Q 8.12 4.10 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 27 E 7.23 4.60 0.00 1.84 1.80 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 2.16 2.25 0.00 28 D 7.05 4.27 0.00 2.66 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 29 K 7.78 4.22 0.00 1.54 1.46 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.38 7.81 30 P 0.00 4.53 0.00 1.96 2.12 0.00 3.54 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 31 A 8.50 4.32 1.12 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 0.00 0.00 32 C 8.89 5.36 0.00 2.85 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 33 V 8.29 4.56 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 0.98 0.00 0.00 0.88 0.00 0.00 34 C 8.84 4.31 0.00 3.06 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 35 H 8.88 4.26 0.00 2.96 3.06 0.00 5.99 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 36 S 8.53 4.53 0.00 3.80 3.72 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 37 G 9.09 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.95 4.64 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 4.39 2.09 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 0.98 0.00 0.00 0.95 0.00 0.00 40 G 8.71 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 0.00 0.00 0.00 0.00 41 A 8.41 4.29 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 42 R 7.99 4.15 0.00 2.06 2.15 0.00 3.24 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.72 0.00 43 C 8.08 5.11 0.00 3.27 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.21 0.00 1.95 1.81 0.00 0.00 0.00 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 2.35 0.00 45 H 8.14 4.51 0.00 3.16 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.90 3.35 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.01 3.95 0.00 2.99 2.82 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 48 L 8.52 3.89 0.00 1.74 1.73 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.20 4.52 0.00 1.46 1.43 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.93 4.16 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