NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4423 8.3044 120.3530 55.6103 33.0120 174.6283 2 T 4.4035 8.4351 120.6919 60.0113 70.4384 172.7345 3 F 4.8758 9.5993 133.5535 58.1511 40.7929 173.5970 4 I 4.3164 7.7394 121.4697 62.7475 39.7068 175.8576 5 T 4.2877 7.2286 105.6429 61.2587 71.0416 168.1417 6 K 3.7718 8.6761 128.8864 55.9691 31.7365 175.9610 7 T 3.9098 7.5376 115.4973 61.1495 67.6869 170.9839 8 P 4.5610 0.0000 0.0000 61.0153 32.4027 173.6856 9 P 4.4606 0.0000 0.0000 61.7379 31.5650 175.9089 10 A 3.9618 8.0380 119.3129 54.8024 17.7294 179.1673 11 A 4.1779 7.9629 115.9541 55.7800 18.6046 179.3711 12 V 3.7265 7.9081 114.1596 66.5382 31.5034 177.7551 13 L 3.9147 8.5465 119.6729 58.3973 41.8500 179.6500 14 L 3.9401 8.8769 119.8099 57.7053 41.5526 179.2132 15 K 3.7938 8.9167 120.7404 59.4141 31.7950 178.6070 16 K 3.9427 8.2328 119.1857 60.1861 32.3640 178.1432 17 A 4.0068 8.7299 121.3892 54.6831 17.9390 178.5523 18 A 4.2800 7.9403 118.9572 53.2577 18.7516 178.7970 19 G 4.3813 8.9101 106.7188 43.7887 0.0000 174.8884 20 I 3.0567 7.1839 112.0775 61.3876 39.0709 172.6634 21 E 4.0655 8.8989 116.2926 58.4707 29.3284 178.0893 22 S 5.9852 7.7101 127.9474 58.3555 64.7879 178.5758 23 G 3.7150 7.4948 106.6848 47.7837 0.0000 172.2363 24 S 4.4566 7.2375 113.0346 55.9007 65.8208 173.8286 25 G 4.2541 9.3755 111.8860 45.7976 0.0000 173.5227 26 E 4.6457 7.3397 118.0066 54.1913 29.7419 171.6328 27 P 4.6302 0.0000 0.0000 63.3872 33.2468 173.9355 28 N 4.7992 7.5911 116.2505 54.0657 45.7800 175.1979 29 R 4.6748 7.7362 115.9672 56.1445 32.5054 175.2894 30 N 5.0495 7.9088 117.7682 51.7353 41.0499 173.2246 31 K 4.6893 8.4019 117.2561 55.7308 35.3841 176.3024 32 V 4.5522 8.3860 114.8097 60.9625 33.8139 175.5681 33 A 4.7812 7.7085 121.3287 50.8225 22.7760 175.1876 34 T 5.1051 8.3965 116.5331 61.9076 72.3065 173.3820 35 I 4.6992 8.4388 117.9526 58.6472 41.6082 175.5167 36 K 4.9651 8.2690 122.1629 55.5401 35.4515 177.5054 37 R 4.0756 8.1584 115.3172 59.2715 29.3720 178.2266 38 D 4.3579 8.0646 120.0900 57.2081 40.8151 178.5461 39 K 3.9681 7.7431 118.2464 59.3847 32.4427 179.6002 40 V 3.9020 7.6987 117.2585 65.2067 31.3716 177.6179 41 R 3.8707 8.1566 119.4362 59.6140 30.0536 177.7861 42 E 3.9242 8.1177 118.4556 59.2155 29.7724 178.7052 43 I 3.6344 8.3283 119.9396 64.6884 37.2623 178.2306 44 A 4.0319 8.0789 121.1684 55.0649 17.9038 179.1865 45 E 3.8657 7.8821 117.3383 59.2423 29.7243 178.6248 46 L 4.1215 7.6229 119.5846 57.9592 42.5072 178.4103 47 K 4.3132 7.7222 115.9492 57.5097 32.3660 178.2692 48 M 3.9846 7.6591 120.5095 58.1479 33.5008 175.7172 49 P 4.6214 0.0000 0.0000 60.7394 30.1643 175.7206 50 D 5.2714 7.1774 128.7350 55.9874 41.8604 176.2752 51 L 4.2980 7.4444 121.1559 54.4423 42.8289 175.7994 52 N 4.6509 8.5476 120.0500 53.4539 38.6594 174.6052 53 A 4.0534 7.1946 119.3177 52.4906 18.6139 177.8627 54 A 4.6304 9.1405 118.6893 51.2171 20.0184 176.2022 55 S 4.9136 7.6509 113.0684 57.3011 64.9882 176.9195 56 I 3.8868 7.2933 121.2250 65.3402 36.4407 178.0992 57 E 3.9606 8.1934 118.4755 59.6190 29.4818 179.6203 58 A 3.9340 7.8553 120.0132 54.9591 18.4769 179.2312 59 A 3.8990 9.0068 120.5372 55.6542 18.3137 179.7569 60 M 3.6063 8.1507 115.4071 58.3842 30.9286 178.4661 61 R 4.2656 8.1000 119.8997 59.8234 30.2898 178.4889 62 M 4.0840 8.0560 118.1855 58.4119 31.9599 178.7722 63 I 3.7176 8.6597 121.2152 65.1218 37.3235 177.1727 64 E 4.0993 9.5608 121.6110 58.1416 29.0747 178.4968 65 G 3.9579 8.0443 109.8817 48.3685 0.0000 175.1696 66 T 4.0268 8.0010 117.4389 66.6304 68.5418 176.5359 67 A 3.9923 8.0963 122.8534 55.2951 18.1427 179.5918 68 R 4.0784 7.6718 115.6272 59.3182 30.1663 177.8719 69 S 4.4084 7.9244 110.5412 58.6827 62.5882 173.3825 70 M 4.4698 8.4635 117.6139 55.6826 34.1948 176.7580 71 G 4.2827 8.3477 108.3906 45.5672 0.0000 174.9249 72 I 4.9318 7.6044 119.8091 60.0310 41.4699 176.7639 73 V 4.1577 9.2291 128.3199 62.1505 33.6641 174.6316 74 V 4.9813 8.0047 121.5727 61.2851 34.7880 173.1947 75 E 4.5953 9.0079 128.8311 54.2270 31.6826 175.3611 76 D 4.4798 8.6685 125.2423 54.5802 41.3764 175.5390 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 M 8.30 4.44 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 2 T 8.44 4.40 4.26 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 1.23 0.00 0.00 3 F 9.60 4.88 0.00 2.97 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 4 I 7.74 4.32 1.85 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 1.51 0.84 0.90 0.00 0.00 5 T 7.23 4.29 4.19 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 1.16 0.00 0.00 6 K 8.68 3.77 0.00 1.90 2.26 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.33 7.81 7 T 7.54 3.91 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 1.23 0.00 0.00 8 P 0.00 4.56 0.00 2.23 2.08 0.00 3.80 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 1.98 1.95 0.00 9 P 0.00 4.46 0.00 2.25 2.24 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 10 A 8.04 3.96 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 11 A 7.96 4.18 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 12 V 7.91 3.73 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 1.22 0.00 0.00 0.95 0.00 0.00 13 L 8.55 3.91 0.00 1.82 1.77 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.88 3.94 0.00 1.69 1.67 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.92 3.79 0.00 1.79 1.88 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 16 K 8.23 3.94 0.00 1.91 1.82 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 17 A 8.73 4.01 1.31 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 18 A 7.94 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.18 3.06 1.87 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 1.36 0.69 0.91 0.00 0.00 21 E 8.90 4.07 0.00 2.10 2.15 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 2.29 2.36 0.00 22 S 7.71 5.99 0.00 3.99 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 23 G 7.49 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 0.00 0.00 0.00 24 S 7.24 4.46 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.38 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 0.00 0.00 0.00 26 E 7.34 4.65 0.00 1.86 1.82 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 2.18 2.35 0.00 27 P 0.00 4.63 0.00 2.38 2.08 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 28 N 7.59 4.80 0.00 2.68 2.72 0.00 0.00 6.55 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 29 R 7.74 4.67 0.00 1.73 1.85 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 30 N 7.91 5.05 0.00 2.82 2.77 0.00 0.00 6.78 7.65 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 31 K 8.40 4.69 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.43 7.81 32 V 8.39 4.55 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 0.75 0.00 0.00 0.97 0.00 0.00 33 A 7.71 4.78 1.18 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 34 T 8.40 5.11 4.24 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 1.21 0.00 0.00 35 I 8.44 4.70 1.87 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 1.23 0.86 0.91 0.00 0.00 36 K 8.27 4.97 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.49 7.81 37 R 8.16 4.08 0.00 2.05 2.18 0.00 2.78 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 38 D 8.06 4.36 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 3.97 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 40 V 7.70 3.90 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 0.99 0.00 0.00 0.93 0.00 0.00 41 R 8.16 3.87 0.00 1.97 2.01 0.00 3.15 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 42 E 8.12 3.92 0.00 2.09 1.93 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 2.30 2.35 0.00 43 I 8.33 3.63 1.98 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 1.46 0.79 0.91 0.00 0.00 44 A 8.08 4.03 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 45 E 7.88 3.87 0.00 2.22 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 2.32 2.46 0.00 46 L 7.62 4.12 0.00 1.74 1.67 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.72 4.31 0.00 2.04 2.01 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 48 M 7.66 3.98 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 49 P 0.00 4.62 0.00 2.20 2.08 0.00 3.99 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 50 D 7.18 5.27 0.00 2.67 2.72 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 51 L 7.44 4.30 0.00 1.83 1.51 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.55 4.65 0.00 2.70 2.77 0.00 0.00 6.94 7.96 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 53 A 7.19 4.05 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 54 A 9.14 4.63 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 0.00 0.00 0.00 0.00 0.00 55 S 7.65 4.91 0.00 3.99 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 56 I 7.29 3.89 1.87 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 1.64 1.05 0.91 0.00 0.00 57 E 8.19 3.96 0.00 2.00 2.02 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 2.40 2.39 0.00 58 A 7.86 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.01 3.90 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 60 M 8.15 3.61 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 61 R 8.10 4.27 0.00 2.15 2.12 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 62 M 8.06 4.08 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 63 I 8.66 3.72 1.95 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 0.47 0.91 0.00 0.00 64 E 9.56 4.10 0.00 1.94 1.93 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 2.31 2.47 0.00 65 G 8.04 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 66 T 8.00 4.03 4.40 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 1.21 0.00 0.00 67 A 8.10 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.08 0.00 1.83 1.98 0.00 3.43 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 69 S 7.92 4.41 0.00 4.01 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 70 M 8.46 4.47 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 71 G 8.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 4.93 1.87 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 1.29 0.39 0.91 0.00 0.00 73 V 9.23 4.16 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 0.86 0.00 0.00 0.93 0.00 0.00 74 V 8.00 4.98 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 0.85 0.00 0.00 0.93 0.00 0.00 75 E 9.01 4.60 0.00 2.06 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 76 D 8.67 4.48 0.00 2.66 2.53 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