NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3174 8.2493 123.5829 51.9192 19.9426 175.9854 2 V 3.8425 8.1715 120.4766 60.2419 32.6442 174.0625 3 I 4.3117 8.4507 125.0459 60.6195 38.3488 176.6004 4 T 5.3640 8.6116 119.4691 58.5573 68.2327 172.6257 5 G 4.5719 8.2640 116.3782 44.8479 0.0000 172.9806 6 A 4.4319 8.7000 128.7567 54.1423 19.7114 174.1657 7 C 4.8409 7.6313 107.3668 55.1438 43.8753 171.7500 8 D 4.5087 9.2770 114.6039 55.3631 44.6340 176.5104 9 K 4.6241 8.1079 118.3344 54.3265 33.9639 176.8914 10 D 4.3880 8.8337 123.6254 57.2323 41.0630 178.8816 11 V 3.6307 7.8994 117.8171 65.9373 31.5738 177.0959 12 Q 4.2739 8.2608 118.4625 58.5056 29.9742 176.0732 13 C 4.9416 7.6780 113.7537 56.0130 39.9342 176.8447 14 G 4.1442 7.9303 115.9681 45.2157 0.0000 172.4381 15 S 4.2960 8.7578 116.8080 60.1408 63.0599 173.6917 16 G 3.7694 8.4891 116.1043 45.3265 0.0000 173.2285 17 T 5.0878 7.9290 109.8949 59.6679 71.6722 170.7943 18 C 5.2753 9.2967 118.0988 54.0239 44.5170 172.9079 19 C 4.9428 9.6611 116.2737 56.7672 41.7360 173.8952 20 A 4.3807 7.5850 122.4376 50.8879 21.5198 176.6286 21 A 5.4032 8.2834 118.5201 50.3397 20.1642 177.8978 22 S 3.7704 7.9284 115.9217 57.7056 63.6090 175.3987 23 A 4.1875 8.3417 124.6280 53.9924 18.4422 178.7764 24 W 4.5705 6.7796 112.7008 58.4786 29.2030 177.3860 25 S 4.5263 7.1678 114.6637 57.0696 66.2939 174.8542 26 R 3.9798 8.5595 122.4649 57.2165 30.0018 176.7915 27 N 4.4461 7.8119 117.9257 54.9272 39.7103 174.4716 28 I 3.6310 7.3017 120.2692 60.2452 38.0627 176.5024 29 R 5.3604 6.8826 125.7498 54.6038 30.7701 174.0796 30 F 5.2635 6.8059 117.6144 56.3023 42.5524 177.6949 31 C 5.1976 8.8548 115.6337 57.5228 35.7293 172.9785 32 I 4.5359 8.5674 116.5830 58.7782 39.4209 174.5182 33 P 4.8736 0.0000 0.0000 63.4134 31.8008 175.7872 34 L 4.4432 8.6281 122.2638 53.6243 43.3651 176.7917 35 G 3.7325 8.9034 108.1998 46.8140 0.0000 173.6960 36 N 5.4798 8.3312 120.8155 51.2793 41.3413 173.7721 37 S 4.5001 8.4514 115.4730 60.8854 62.9988 174.9523 38 G 3.9559 9.4378 114.2524 45.2241 0.0000 172.9856 39 E 4.4937 7.9806 119.5514 55.1842 31.3604 175.4173 40 D 5.0676 8.1967 122.3593 54.5400 41.9315 173.1312 41 C 5.0812 9.3194 119.3783 54.0401 46.2998 173.1252 42 H 4.7714 8.6337 118.3365 54.0377 29.2106 174.7011 43 P 4.0065 0.0000 0.0000 65.5204 31.0350 177.6349 44 A 4.0670 7.6743 120.4650 54.2742 18.6089 177.5119 45 S 4.1710 7.7419 113.0467 58.4355 63.2827 174.2255 46 H 4.8727 8.8879 122.8688 54.0899 29.6325 175.0539 47 K 4.0911 8.4411 119.5396 57.2498 32.7868 176.1585 48 V 4.2757 8.0859 120.4617 61.3440 32.4750 174.1022 49 P 4.5912 0.0000 0.0000 62.1886 31.8731 175.6839 50 Y 4.4579 9.9511 125.1771 57.3283 39.5748 176.7385 51 D 4.5869 8.1382 129.5901 50.9310 39.3172 176.2990 52 G 3.8717 6.0771 110.0085 46.3995 0.0000 170.9909 53 K 4.7923 8.1987 122.5234 55.1538 35.5337 176.1884 54 R 4.4248 8.3244 120.7310 55.6448 33.2251 175.1866 55 L 4.3764 8.2620 128.4994 54.1540 41.5411 177.0372 56 S 4.5198 7.3904 115.2778 58.0213 64.1997 175.2646 57 S 4.8378 8.2484 119.1580 57.5195 63.1953 173.5847 58 L 4.4501 7.2719 120.9721 53.8472 44.7504 175.3913 59 C 4.4634 8.4844 123.6616 56.3883 41.6622 172.8834 60 P 4.4719 0.0000 0.0000 62.4054 32.9828 175.8421 61 C 4.9832 8.7057 117.8474 57.0183 41.9582 174.5221 62 K 4.2067 8.8877 122.3634 56.4144 32.8676 176.6080 63 S 4.2040 8.5699 116.3152 60.6769 63.0706 173.6650 64 G 4.1813 9.1005 113.7093 45.5656 0.0000 173.8017 65 L 4.5575 7.7309 118.2350 54.0950 43.2386 176.6260 66 T 4.6344 8.2921 117.6803 61.9506 71.4441 173.7811 67 C 5.0482 8.8243 126.4697 55.9888 42.7691 172.4080 68 S 4.5091 8.9556 119.9770 56.2044 66.2994 172.8086 69 K 3.7214 7.1594 125.5523 56.0983 32.1998 177.3284 70 S 4.8069 9.1899 126.8496 56.8062 64.9811 171.9649 71 G 4.1012 7.8146 116.1087 44.6498 0.0000 174.4082 72 E 4.2501 9.1458 121.6280 57.8031 30.8892 175.7591 73 K 4.9438 7.5259 117.3374 54.8931 36.7604 174.8535 74 F 4.9466 9.0892 118.5858 57.6075 40.7182 175.3732 75 K 5.1303 9.3265 121.3396 54.7632 37.0972 174.8618 76 C 5.0633 9.4443 120.5983 57.1618 41.5720 174.2466 77 S 4.2413 8.8297 118.7921 59.0529 63.4642 174.1584 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 A 8.25 4.32 1.27 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 0.00 0.00 0.00 2 V 8.17 3.84 2.10 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 0.66 0.00 0.00 0.97 0.00 0.00 3 I 8.45 4.31 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.83 0.00 0.00 4 T 8.61 5.36 4.34 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 1.25 0.00 0.00 5 G 8.26 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 4.43 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 7 C 7.63 4.84 0.00 3.31 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 8 D 9.28 4.51 0.00 2.56 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 9 K 8.11 4.62 0.00 1.82 1.71 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.38 7.81 10 D 8.83 4.39 0.00 2.74 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 11 V 7.90 3.63 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 0.76 0.00 0.00 0.94 0.00 0.00 12 Q 8.26 4.27 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 13 C 7.68 4.94 0.00 3.09 2.13 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 14 G 7.93 4.14 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 0.00 0.00 0.00 15 S 8.76 4.30 0.00 3.88 3.88 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 0.00 0.00 0.00 16 G 8.49 3.77 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 0.00 0.00 0.00 17 T 7.93 5.09 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 1.30 0.00 0.00 18 C 9.30 5.28 0.00 3.19 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 19 C 9.66 4.94 0.00 3.04 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 20 A 7.58 4.38 1.19 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 0.00 0.00 21 A 8.28 5.40 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 22 S 7.93 3.77 0.00 2.72 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 23 A 8.34 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.78 4.57 0.00 3.51 3.36 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 25 S 7.17 4.53 0.00 3.92 3.77 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 26 R 8.56 3.98 0.00 1.72 1.89 0.00 3.16 0.00 0.00 3.02 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 27 N 7.81 4.45 0.00 2.79 2.79 0.00 0.00 7.22 7.68 0.00 0.00 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 I 7.30 3.63 1.30 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.30 -0.14 0.00 0.00 29 R 6.88 5.36 0.00 1.85 1.75 0.00 3.31 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 30 F 6.81 5.26 0.00 3.00 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 31 C 8.85 5.20 0.00 2.93 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 32 I 8.57 4.54 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 0.88 0.00 0.00 33 P 0.00 4.87 0.00 2.14 2.15 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 34 L 8.63 4.44 0.00 1.64 1.79 0.98 1.04 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 35 G 8.90 3.73 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 0.00 0.00 0.00 36 N 8.33 5.48 0.00 2.77 2.79 0.00 0.00 7.13 7.59 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 37 S 8.45 4.50 0.00 3.86 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 38 G 9.44 3.96 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 0.00 0.00 0.00 39 E 7.98 4.49 0.00 2.22 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 2.31 2.47 0.00 40 D 8.20 5.07 0.00 2.74 2.59 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 41 C 9.32 5.08 0.00 2.93 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 42 H 8.63 4.77 0.00 3.14 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.01 0.00 1.56 0.49 0.00 3.57 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.07 0.00 44 A 7.67 4.07 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 45 S 7.74 4.17 0.00 3.99 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.89 4.87 0.00 3.46 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.44 4.09 0.00 1.94 1.99 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.41 7.81 48 V 8.09 4.28 2.11 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 0.94 0.00 0.00 0.96 0.00 0.00 49 P 0.00 4.59 0.00 2.10 2.07 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 50 Y 9.95 4.46 0.00 2.78 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 51 D 8.14 4.59 0.00 2.66 2.59 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 52 G 6.08 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 53 K 8.20 4.79 0.00 1.86 1.78 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.44 7.81 54 R 8.32 4.42 0.00 1.34 1.41 0.00 3.28 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.57 0.00 55 L 8.26 4.38 0.00 1.60 1.58 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.39 4.52 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.25 4.84 0.00 3.79 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.27 4.45 0.00 1.35 1.12 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.48 4.46 0.00 2.93 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 60 P 0.00 4.47 0.00 2.09 2.02 0.00 3.56 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 2.18 2.03 0.00 61 C 8.71 4.98 0.00 2.89 3.04 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 62 K 8.89 4.21 0.00 1.99 1.96 0.00 1.24 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.54 7.81 63 S 8.57 4.20 0.00 3.89 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 64 G 9.10 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.73 4.56 0.00 1.72 1.62 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.29 4.63 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 1.24 0.00 0.00 67 C 8.82 5.05 0.00 3.06 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 68 S 8.96 4.51 0.00 3.85 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.16 3.72 0.00 0.79 1.33 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.48 7.81 70 S 9.19 4.81 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.81 4.10 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 0.00 0.00 0.00 72 E 9.15 4.25 0.00 2.11 2.10 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 2.28 2.29 0.00 73 K 7.53 4.94 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 74 F 9.09 4.95 0.00 3.14 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 75 K 9.33 5.13 0.00 1.60 1.71 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 76 C 9.44 5.06 0.00 3.13 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 77 S 8.83 4.24 0.00 3.68 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00