NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4208 8.4293 120.2298 55.7771 31.4457 176.0815 3 S 4.5763 7.4754 112.7273 54.8670 67.2026 172.7580 4 F 3.9356 9.2947 126.0777 62.0613 39.4334 178.4593 5 L 4.0433 8.1010 118.7983 58.0565 41.9851 178.9336 6 L 4.0135 7.6175 117.7839 58.0438 41.6787 179.7499 7 S 4.2471 7.6890 113.3967 61.3332 62.7829 176.7042 8 K 3.8515 7.6165 122.1638 59.1255 31.7938 179.3203 9 V 3.7379 8.3662 119.0967 66.2650 31.6301 178.3247 10 S 4.2157 8.5246 114.2013 61.1825 62.8298 176.1457 11 F 3.9485 8.3118 124.5645 61.1299 39.0606 177.3297 12 V 3.6491 8.1063 117.9549 65.8551 31.2862 177.9900 13 I 3.7876 7.9003 119.6792 64.4894 37.0932 178.3727 14 K 3.8740 7.8651 119.9482 59.0201 31.8632 178.8846 15 K 3.7280 7.7515 120.0770 59.4035 32.0942 178.8413 16 I 3.6516 7.8285 120.1783 64.4042 37.0569 178.2147 17 R 3.8607 8.0213 119.4239 59.6509 29.7869 178.5637 18 L 3.9767 7.8256 118.3786 57.6405 41.4090 178.9086 19 E 3.9569 8.0313 117.7731 59.5061 29.5673 178.9402 20 K 4.3722 8.0869 115.0713 55.6795 32.3091 177.5247 21 G 3.9284 8.0156 107.3539 46.3473 0.0000 174.0585 22 M 4.3563 7.7938 119.0923 54.9112 32.9371 176.9828 23 T 4.4187 9.3252 113.9093 60.5424 71.9181 175.9477 24 Q 3.9929 8.5526 120.2109 59.9619 28.6288 178.5947 25 E 3.8986 8.4238 118.0086 59.8619 29.3577 178.6574 26 D 4.3755 8.1594 116.8188 57.8361 41.3206 179.0380 27 L 3.8792 7.9782 119.5798 58.6232 42.1212 179.3218 28 A 4.0440 8.1631 120.3991 55.1499 18.2562 179.0200 29 Y 3.7888 7.9788 117.6364 60.7792 38.8660 177.5553 30 K 4.1959 8.4132 120.0621 58.7111 32.1689 176.8968 31 S 4.5669 7.3640 109.9266 57.1175 63.6753 173.3444 32 N 4.0066 8.5327 116.6951 54.9832 35.9486 173.5077 33 L 4.8647 7.6725 115.4302 51.7737 45.9903 176.9783 34 D 4.4930 8.4611 118.4772 54.5557 42.8356 176.9824 35 R 3.9432 8.6488 125.0736 59.8403 30.0577 179.0117 36 T 3.8941 8.0615 109.0861 64.9168 68.7111 175.5443 37 Y 4.2564 7.9949 121.9621 60.6104 38.9502 178.0932 38 I 3.5567 7.5992 120.4571 64.2236 37.1489 178.2108 39 S 4.1307 7.8674 114.1881 61.5197 62.2240 176.5862 40 G 3.5290 8.2398 108.4664 47.6806 0.0000 175.4896 41 I 3.5144 7.5999 122.4700 64.4254 36.9135 178.4222 42 E 3.9950 7.6334 117.5312 59.0120 29.2645 178.7582 43 R 4.2651 7.9249 116.3850 56.0459 30.4638 175.6748 44 N 4.2626 7.8258 114.4533 54.7206 38.0484 174.2056 45 S 4.7308 7.8723 109.1811 57.7266 62.9174 174.2024 46 R 4.5838 7.5466 118.4570 54.5433 33.4664 174.7825 47 N 4.7473 8.6590 121.3929 51.7288 38.2971 174.0442 48 L 4.5023 7.9973 124.3141 54.8636 42.0877 178.0392 49 T 4.2029 8.2054 116.4272 63.1485 70.5571 175.8290 50 I 3.7173 8.3575 124.8266 64.8118 37.3646 178.6268 51 K 3.9143 8.1818 118.5244 59.8555 31.7441 179.3561 52 S 4.1167 7.8948 114.6086 61.3100 62.8439 175.8909 53 L 3.7710 8.0891 123.4588 58.3734 41.7293 178.5029 54 E 3.8086 8.5419 119.1641 59.5658 29.5884 178.9389 55 L 3.9841 7.6865 118.3106 57.7930 41.5544 179.5851 56 I 3.7226 8.0421 120.2048 64.4539 37.0507 178.4014 57 M 3.8736 8.1222 120.0770 58.2270 31.6613 178.7552 58 K 4.1250 8.2460 119.6195 58.8954 32.0370 179.2556 59 G 3.5877 7.5618 105.5209 47.6398 0.0000 175.1443 60 L 4.2162 7.9924 118.3408 53.7834 42.6120 176.5539 61 E 3.8350 7.7776 118.1577 57.1109 27.3112 174.8552 62 V 4.5547 7.5749 115.3740 58.9401 35.1939 176.2662 63 S 4.4319 8.4698 117.0271 57.8139 65.3422 174.6722 64 D 4.2690 8.7195 124.6635 58.5171 40.6571 179.0353 65 V 3.6997 8.2232 117.1532 67.0432 31.0538 178.0169 66 V 4.0218 8.1774 121.8602 64.0316 31.4770 178.0971 67 F 4.0898 8.4430 121.6937 61.3549 39.2282 177.2522 68 F 4.3890 8.2550 117.0879 60.3299 38.8245 177.3607 69 E 4.0654 8.3386 118.0843 58.6974 29.0988 178.5087 70 M 4.1944 7.8715 118.7474 57.2926 32.6692 177.2283 71 L 3.6853 7.6056 119.1623 58.4626 41.7538 178.6922 72 I 3.7082 8.0662 120.3821 64.7980 37.6938 178.2206 73 K 4.1146 7.6447 117.6590 59.3107 31.3025 179.1175 74 E 3.8196 8.4385 119.9042 59.3677 29.3821 178.8654 75 I 3.8397 7.9788 118.9766 63.7971 37.2149 177.2722 76 L 4.5605 7.3685 117.3694 54.7884 41.8983 178.2688 77 K 3.8236 7.6628 119.1276 58.3077 32.5422 176.4672 78 H 4.3799 8.0581 120.6105 55.0752 29.9616 174.3329 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 2 E 8.43 4.42 0.00 2.00 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 2.23 2.32 0.00 3 S 7.48 4.58 0.00 4.12 3.94 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 4 F 9.29 3.94 0.00 3.19 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 5 L 8.10 4.04 0.00 1.90 1.75 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.62 4.01 0.00 1.95 1.72 0.97 0.89 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 7 S 7.69 4.25 0.00 4.00 4.07 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 8 K 7.62 3.85 0.00 1.80 1.80 0.00 1.43 0.00 0.00 1.27 0.00 0.00 2.42 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.97 1.15 7.81 9 V 8.37 3.74 2.29 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 1.22 0.00 0.00 1.13 0.00 0.00 10 S 8.52 4.22 0.00 4.19 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 11 F 8.31 3.95 0.00 3.30 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 12 V 8.11 3.65 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 0.62 0.00 0.00 0.91 0.00 0.00 13 I 7.90 3.79 1.89 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 1.55 0.88 0.90 0.00 0.00 14 K 7.87 3.87 0.00 1.73 1.66 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.46 7.81 15 K 7.75 3.73 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 16 I 7.83 3.65 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.94 0.00 0.00 17 R 8.02 3.86 0.00 1.86 2.09 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 18 L 7.83 3.98 0.00 1.71 1.65 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.96 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 20 K 8.09 4.37 0.00 1.71 1.83 0.00 2.02 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.59 7.81 21 G 8.02 3.93 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 0.00 0.00 0.00 22 M 7.79 4.36 0.00 2.04 2.10 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 2.63 2.47 0.00 23 T 9.33 4.42 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 1.20 0.00 0.00 24 Q 8.55 3.99 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 25 E 8.42 3.90 0.00 2.05 1.95 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 2.41 2.50 0.00 26 D 8.16 4.38 0.00 2.73 2.75 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 27 L 7.98 3.88 0.00 1.79 1.88 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.16 4.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.79 0.00 3.11 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 30 K 8.41 4.20 0.00 2.02 1.90 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 31 S 7.36 4.57 0.00 4.09 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 32 N 8.53 4.01 0.00 2.74 2.85 0.00 0.00 6.67 7.88 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 33 L 7.67 4.86 0.00 1.66 1.65 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.46 4.49 0.00 2.74 2.73 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 35 R 8.65 3.94 0.00 1.95 1.94 0.00 3.26 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 36 T 8.06 3.89 4.29 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 1.28 0.00 0.00 37 Y 7.99 4.26 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.56 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.88 0.00 0.00 39 S 7.87 4.13 0.00 3.82 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 40 G 8.24 3.53 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 0.00 41 I 7.60 3.51 1.79 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.04 0.82 0.00 0.00 42 E 7.63 3.99 0.00 2.16 1.95 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 2.27 2.28 0.00 43 R 7.92 4.27 0.00 1.76 1.93 0.00 3.29 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 44 N 7.83 4.26 0.00 2.74 2.80 0.00 0.00 7.01 8.05 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 45 S 7.87 4.73 0.00 4.02 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 46 R 7.55 4.58 0.00 1.52 1.71 0.00 3.49 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 47 N 8.66 4.75 0.00 2.68 2.79 0.00 0.00 7.11 7.78 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 48 L 8.00 4.50 0.00 1.92 1.78 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.21 4.20 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 1.28 0.00 0.00 50 I 8.36 3.72 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.83 0.98 0.00 0.00 51 K 8.18 3.91 0.00 1.79 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 52 S 7.89 4.12 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.77 0.00 1.85 1.68 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.54 3.81 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 55 L 7.69 3.98 0.00 1.94 1.86 0.89 0.52 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 56 I 8.04 3.72 1.88 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 1.49 0.79 0.84 0.00 0.00 57 M 8.12 3.87 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.13 0.00 58 K 8.25 4.12 0.00 1.80 1.90 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 59 G 7.56 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 60 L 7.99 4.22 0.00 1.62 1.73 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.78 3.84 0.00 2.05 2.00 0.00 0.00 0.00 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 2.23 0.00 62 V 7.57 4.55 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 0.80 0.00 0.00 0.96 0.00 0.00 63 S 8.47 4.43 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 64 D 8.72 4.27 0.00 2.87 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.70 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 1.16 0.00 0.00 1.02 0.00 0.00 66 V 8.18 4.02 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 1.13 0.00 0.00 0.95 0.00 0.00 67 F 8.44 4.09 0.00 3.00 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 68 F 8.26 4.39 0.00 3.35 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 69 E 8.34 4.07 0.00 2.18 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 2.61 0.00 70 M 7.87 4.19 0.00 1.90 1.92 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 2.69 2.47 0.00 71 L 7.61 3.69 0.00 1.71 1.74 1.21 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.07 3.71 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.93 0.00 0.00 73 K 7.64 4.11 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 74 E 8.44 3.82 0.00 2.13 2.01 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 2.25 2.17 0.00 75 I 7.98 3.84 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.81 1.18 0.00 0.00 76 L 7.37 4.56 0.00 1.80 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 3.82 0.00 1.81 1.79 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.56 7.81 78 H 8.06 4.38 0.00 3.38 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00