NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4371 8.3649 120.1911 55.1887 42.1124 173.0153 2 T 3.5224 8.9802 119.2507 63.5850 67.3845 170.8129 3 T 4.7206 7.0360 117.6066 62.2785 73.6601 173.3245 4 V 4.3161 7.7278 122.0981 60.9139 32.9631 172.1647 5 S 4.0255 7.9846 116.9794 56.2477 63.3761 169.8697 6 E 3.8198 8.2966 127.0563 54.6937 30.8817 172.3497 7 P 4.7561 0.0000 0.0000 62.7486 31.9431 176.1503 8 A 4.4094 8.8284 124.5289 51.1252 19.3541 175.6460 9 P 4.5608 0.0000 0.0000 62.4153 32.4756 177.6662 10 S 4.2883 8.8619 116.5963 60.4227 62.6859 173.9967 11 C 4.4877 8.1404 116.2950 57.4931 42.8367 173.1956 12 V 4.6639 7.8959 120.3731 61.8506 32.3499 175.4639 13 T 4.6348 9.0136 124.6086 62.2967 70.7927 173.3045 14 L 5.1011 8.4075 125.4874 53.2148 44.4819 175.8706 15 Y 4.6079 8.6148 120.9114 56.7574 37.9403 176.2735 16 Q 4.6026 8.1310 119.6344 55.4675 28.8366 175.2103 17 S 4.6247 8.7067 122.0808 56.3640 65.1558 175.2880 18 W 3.1847 7.7946 115.9965 59.1137 28.1866 178.4781 19 R 2.5100 6.2706 118.5264 58.3097 29.5638 174.9627 20 Y 4.6572 7.0540 113.8629 56.3720 42.1346 173.1541 21 S 5.0043 8.9955 115.8034 57.5908 63.3881 172.7310 22 Q 4.7892 9.3640 129.2076 54.5704 31.5934 173.8864 23 A 5.2035 8.9986 125.2556 50.0964 22.6403 174.5874 24 D 4.9065 9.2155 122.0179 52.4533 43.9559 174.6552 25 N 4.5452 9.1942 127.2781 52.8303 38.0083 174.7047 26 G 4.0007 8.3808 107.6551 46.2385 0.0000 170.1855 27 C 4.6913 8.7740 121.1357 55.2116 44.6038 173.4022 28 A 4.0172 8.3489 123.9805 53.3072 18.5682 176.9048 29 E 4.8900 7.6372 113.5758 54.1547 33.4413 175.9585 30 T 4.3107 8.4049 118.0836 64.0941 69.2291 174.5045 31 V 4.6190 8.8859 117.9550 60.1141 36.9961 174.0947 32 T 5.1099 8.4884 118.7700 62.0375 71.0832 173.7194 33 V 5.0587 8.7954 119.6161 59.2136 35.8559 174.9965 34 K 5.2391 9.3180 122.8594 53.6411 35.1966 175.8582 35 V 4.0529 8.4014 125.7286 61.5549 32.7778 175.0105 36 V 4.7084 8.4709 124.5963 61.3073 34.0842 174.0937 37 Y 5.1729 8.7177 124.2445 55.9933 40.9634 176.5828 38 E 3.9375 9.2716 121.4212 59.9145 29.5174 178.6438 39 D 4.7344 8.1529 116.3411 53.0973 39.8324 175.8362 40 D 4.6378 7.9458 117.0746 56.4291 39.1144 173.6551 41 T 4.5965 7.2626 107.2756 60.0409 71.2732 172.9328 42 E 5.1213 8.5800 121.0643 54.6960 31.6246 176.8492 43 G 4.0364 9.1231 116.0486 45.8305 0.0000 171.5889 44 L 3.4444 7.7206 122.8431 53.6011 41.5212 174.3302 45 C 4.7912 8.0035 121.1776 55.6739 45.8049 172.2849 46 Y 5.1548 9.0308 124.1673 56.0405 41.1840 174.7304 47 A 4.7320 8.8509 126.3399 51.6978 19.6928 176.7171 48 V 4.5677 9.0723 122.4266 60.8782 34.8411 175.1071 49 A 4.6728 9.4654 130.2738 50.5345 20.0229 174.9042 50 P 4.3470 0.0000 0.0000 64.1181 31.5906 177.0657 51 G 3.8702 9.1456 111.5295 45.4978 0.0000 172.8479 52 Q 4.4398 8.1283 121.6749 55.1635 30.9233 174.5059 53 I 4.9562 8.0491 124.0328 59.8984 40.3466 174.9654 54 T 4.5784 8.8884 122.6246 62.2459 73.3546 173.2787 55 T 4.3840 8.0474 121.2981 63.5402 69.1730 174.9668 56 V 4.5566 9.1944 116.3082 60.2591 34.6203 175.4379 57 G 4.1350 7.3826 106.2521 46.5023 0.0000 172.2257 58 D 4.9443 9.3193 120.2186 54.3666 41.9264 177.0102 59 G 4.1371 8.7326 108.2677 44.4267 0.0000 173.4642 60 Y 4.8528 8.0916 115.2473 57.4502 38.1431 177.9089 61 I 3.7412 7.8005 114.4576 62.3440 37.7808 176.0681 62 G 3.9204 7.5404 108.0278 46.0242 0.0000 175.3409 63 S 4.2190 8.3881 116.2386 61.8191 63.4182 175.1351 64 H 4.7472 7.8812 114.5581 55.4688 29.4338 176.1504 65 G 3.9774 7.9840 115.0262 46.9133 0.0000 174.1524 66 H 5.3519 9.0677 116.7429 53.2937 33.7558 172.1953 67 A 4.2664 9.2397 122.4960 52.9002 18.4128 177.9229 68 R 4.3501 8.8356 121.3056 57.8761 30.9545 176.2856 69 Y 4.7573 6.6338 113.9700 56.0299 41.3596 172.6807 70 L 4.6620 8.5460 120.0583 54.5128 43.2263 176.1124 71 A 5.1413 9.0001 125.2882 50.3582 22.0543 176.5183 72 R 4.5056 8.6718 119.5312 56.3824 30.8927 176.8022 73 C 4.4665 9.1639 118.1939 59.3432 40.8036 174.5479 74 L 4.3326 7.6848 121.2618 54.8212 41.9853 176.2714 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 D 8.36 4.44 0.00 2.65 2.68 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 2 T 8.98 3.52 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 3 T 7.04 4.72 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 4 V 7.73 4.32 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 0.63 0.00 0.00 0.97 0.00 0.00 5 S 7.98 4.03 0.00 3.96 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 6 E 8.30 3.82 0.00 2.18 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 2.23 2.26 0.00 7 P 0.00 4.76 0.00 1.99 1.74 0.00 3.75 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 8 A 8.83 4.41 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 9 P 0.00 4.56 0.00 2.13 2.19 0.00 3.72 0.00 0.00 3.83 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 S 8.86 4.29 0.00 4.00 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 11 C 8.14 4.49 0.00 3.03 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.66 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 0.81 0.00 0.00 0.95 0.00 0.00 13 T 9.01 4.63 4.48 0.00 0.00 0.00 0.00 0.00 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 14 L 8.41 5.10 0.00 1.65 1.55 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.61 4.61 0.00 3.00 2.89 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 0.00 0.00 0.00 16 Q 8.13 4.60 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.18 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 17 S 8.71 4.62 0.00 3.70 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 18 W 7.79 3.18 0.00 3.32 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 19 R 6.27 2.51 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.65 0.00 20 Y 7.05 4.66 0.00 2.99 2.88 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 21 S 9.00 5.00 0.00 4.09 3.92 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 0.00 0.00 0.00 22 Q 9.36 4.79 0.00 2.41 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.44 0.00 0.00 0.00 0.00 0.00 1.68 2.20 0.00 23 A 9.00 5.20 1.25 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 24 D 9.22 4.91 0.00 2.83 2.70 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 25 N 9.19 4.55 0.00 2.82 2.94 0.00 0.00 6.94 8.85 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 26 G 8.38 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 0.00 0.00 0.00 27 C 8.77 4.69 0.00 3.05 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 28 A 8.35 4.02 1.29 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 0.00 0.00 29 E 7.64 4.89 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 30 T 8.40 4.31 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 1.25 0.00 0.00 31 V 8.89 4.62 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 0.83 0.00 0.00 0.95 0.00 0.00 32 T 8.49 5.11 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 1.21 0.00 0.00 33 V 8.80 5.06 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 0.87 0.00 0.00 0.98 0.00 0.00 34 K 9.32 5.24 0.00 1.68 1.82 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.20 7.81 35 V 8.40 4.05 1.94 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 0.16 0.00 0.00 0.77 0.00 0.00 36 V 8.47 4.71 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 0.89 0.00 0.00 1.00 0.00 0.00 37 Y 8.72 5.17 0.00 2.85 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 38 E 9.27 3.94 0.00 1.97 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 2.65 2.59 0.00 39 D 8.15 4.73 0.00 2.75 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 40 D 7.95 4.64 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.26 4.60 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 1.21 0.00 0.00 42 E 8.58 5.12 0.00 1.95 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 2.23 2.29 0.00 43 G 9.12 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 44 L 7.72 3.44 0.00 1.63 0.53 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.00 4.79 0.00 2.84 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 46 Y 9.03 5.15 0.00 2.86 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 47 A 8.85 4.73 1.25 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 48 V 9.07 4.57 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 1.01 0.00 0.00 0.99 0.00 0.00 49 A 9.47 4.67 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 50 P 0.00 4.35 0.00 2.19 2.21 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 51 G 9.15 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 52 Q 8.13 4.44 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 53 I 8.05 4.96 1.76 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 1.29 0.98 0.82 0.00 0.00 54 T 8.89 4.58 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 1.05 0.00 0.00 55 T 8.05 4.38 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 0.54 0.00 0.00 56 V 9.19 4.56 2.19 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 0.88 0.00 0.00 0.93 0.00 0.00 57 G 7.38 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 58 D 9.32 4.94 0.00 2.70 2.68 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 59 G 8.73 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 60 Y 8.09 4.85 0.00 2.77 3.38 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 61 I 7.80 3.74 1.98 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 1.30 0.96 1.20 0.00 0.00 62 G 7.54 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.39 4.22 0.00 4.01 3.98 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 64 H 7.88 4.75 0.00 2.28 2.07 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.98 3.98 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 0.00 0.00 0.00 66 H 9.07 5.35 0.00 3.07 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.24 4.27 1.14 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 68 R 8.84 4.35 0.00 0.88 1.91 0.00 3.47 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 69 Y 6.63 4.76 0.00 3.02 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 70 L 8.55 4.66 0.00 1.69 1.67 0.99 0.73 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 71 A 9.00 5.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.51 0.00 1.71 2.05 0.00 3.28 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 73 C 9.16 4.47 0.00 2.96 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 74 L 7.68 4.33 0.00 1.58 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00