NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2616 8.3144 120.0073 56.1649 34.7232 175.3212 11 K 4.0976 8.0994 121.9753 53.0120 32.7547 173.8895 12 P 4.3609 0.0000 0.0000 62.9626 32.7565 176.9943 13 V 2.1866 8.2103 119.9640 65.7560 31.5210 177.2785 14 N 4.5598 7.9892 114.1974 54.6165 38.3916 175.2954 15 S 4.7793 8.0583 113.8618 57.8045 64.0787 174.4898 16 W 4.7884 8.1875 122.5062 56.9506 29.6845 176.0352 17 T 4.9465 9.1602 113.5773 60.6937 71.4577 175.2754 18 C 4.4997 9.1522 119.2362 60.4177 39.8579 176.5992 19 E 3.9136 7.9151 118.8991 59.4273 29.2674 178.5620 20 D 4.1848 7.6074 117.5298 57.3973 40.9815 178.7469 21 F 3.8650 7.8091 120.2955 61.2688 39.0668 177.0468 22 L 3.7425 7.7179 116.7978 56.7103 41.4829 178.3932 23 A 4.1163 7.1035 118.9148 51.8881 18.9763 177.5073 24 V 3.5693 6.5057 117.8854 61.6862 32.3428 175.2319 25 D 4.3146 8.7470 125.8368 54.6175 41.5325 176.6073 26 E 4.0200 9.0453 126.2374 59.7614 29.5954 179.3457 27 S 4.0760 8.1814 113.3044 60.5794 63.1122 175.4939 28 F 4.8201 8.3452 118.1962 57.4495 39.0757 177.4592 29 Q 4.4227 7.8174 119.9267 58.5944 28.4843 176.6398 30 P 4.5119 0.0000 0.0000 65.7274 31.3610 178.8167 31 T 4.0695 8.1536 114.3122 66.5853 68.4700 176.5211 32 A 4.3490 8.4948 122.8608 55.0805 18.3984 179.9884 33 V 3.7498 8.2446 116.9755 66.2469 31.6315 178.6118 34 G 3.6023 8.4865 105.7239 47.5157 0.0000 175.3321 35 F 3.8711 8.9221 123.1430 61.1871 39.4139 177.0733 36 A 3.8939 8.4845 120.6497 55.0827 17.8677 179.4603 37 E 3.5329 7.9372 115.8906 59.2948 29.5927 179.0367 38 A 3.9415 7.6890 119.5264 55.2445 18.4951 179.0400 39 L 3.7934 7.3031 115.8222 56.2076 42.2069 178.7032 40 N 4.3053 8.7987 115.5017 53.7989 38.8798 175.7009 41 N 4.3436 8.3280 123.5007 53.8567 38.5215 173.4892 42 K 4.6570 8.3776 120.2659 54.2538 37.6816 174.9357 43 D 4.4342 9.0480 124.1076 53.6102 38.1983 178.5427 44 K 4.6356 8.8261 114.5634 53.2459 35.9542 174.9511 45 P 4.2381 0.0000 0.0000 65.7915 31.3754 178.4854 46 E 4.0267 8.1310 114.1662 58.3187 29.7299 177.0321 47 D 4.6088 8.0944 118.0406 54.2502 42.2513 176.4841 48 A 3.8717 7.3871 122.1922 52.6992 18.5319 176.8871 49 V 4.2206 8.1896 122.4398 61.0487 33.5206 174.9326 50 L 4.3783 8.3166 127.5457 53.8203 42.1931 176.3569 51 D 4.7471 8.3707 127.1904 52.8722 40.8838 176.2264 52 V 3.6673 8.1024 126.3698 65.4437 31.6630 177.1657 53 Q 4.1069 8.2576 119.4247 58.8784 28.9609 177.9513 54 G 3.4918 8.5022 106.8404 47.9214 0.0000 175.8071 55 I 4.0149 8.3241 122.3034 64.0483 36.9082 178.4220 56 A 4.0864 7.9916 120.8792 55.3814 18.8156 179.6395 57 T 4.0255 8.2595 114.7915 66.6744 68.6137 177.2661 58 V 3.8642 8.0962 120.0772 63.7360 31.7035 178.5284 59 T 4.0208 7.8209 117.5216 66.3020 68.3150 174.5010 60 P 4.3776 0.0000 0.0000 65.9249 31.1301 178.0622 61 A 4.0211 7.5377 119.6626 55.1837 18.2429 179.7532 62 I 3.8674 8.1049 118.4749 64.3917 36.9362 178.8271 63 V 3.8750 8.3392 118.8659 66.0239 31.7118 177.6317 64 Q 4.1158 8.5332 119.2703 59.3213 28.6619 177.9089 65 A 4.0728 8.5241 122.1624 55.6845 17.9089 178.9823 66 C 4.2537 8.7451 114.9089 60.1869 40.0609 176.4499 67 T 3.8518 7.6921 116.9168 66.5207 68.1174 175.4470 68 Q 4.3019 7.5846 117.3859 56.9086 29.7863 176.0651 69 D 4.8208 7.6245 117.1425 53.0084 42.1457 175.6502 70 K 4.3368 8.1056 121.7600 58.4010 33.5872 179.4945 71 Q 4.6998 8.0701 115.8146 55.7889 29.4344 175.8387 72 A 4.3648 8.0480 122.4260 51.6417 20.3402 177.0451 73 N 4.7337 8.6778 118.4541 53.1814 39.8413 175.4233 74 F 4.3544 9.2564 128.4850 61.7609 39.5231 177.2802 75 K 3.3538 8.0628 118.3146 59.2108 31.9471 178.3700 76 D 4.3165 8.3885 119.4966 56.9285 40.6599 178.5220 77 K 3.9230 8.0898 120.3427 59.2025 32.0495 179.0927 78 V 3.4185 7.5278 118.7601 65.9331 31.5610 178.0969 79 K 3.9711 7.9425 118.3129 59.3663 31.9700 179.5834 80 G 3.5565 8.2625 105.8991 47.9263 0.0000 175.4417 81 E 4.0159 8.2893 121.1432 58.7783 29.6204 179.0730 82 W 4.2192 8.2845 127.1985 60.4762 30.7712 177.5560 83 D 4.5330 7.9101 117.3792 56.8893 41.7285 178.3562 84 K 4.2068 7.6481 118.7808 56.6143 28.5293 176.6254 85 I 3.4112 7.3513 124.1591 61.9251 37.3051 174.4014 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 10 K 8.31 4.26 0.00 1.90 2.03 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 11 K 8.10 4.10 0.00 1.98 2.20 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.58 7.81 12 P 0.00 4.36 0.00 2.26 2.20 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 13 V 8.21 2.19 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 0.72 0.00 0.00 0.12 0.00 0.00 14 N 7.99 4.56 0.00 2.72 2.82 0.00 0.00 6.75 7.57 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 15 S 8.06 4.78 0.00 4.03 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 16 W 8.19 4.79 0.00 3.63 3.23 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 17 T 9.16 4.95 4.47 0.00 0.00 0.00 0.00 0.00 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 9.15 4.50 0.00 3.23 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.91 0.00 1.91 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 2.63 2.34 0.00 20 D 7.61 4.18 0.00 2.68 1.68 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 21 F 7.81 3.87 0.00 2.39 3.06 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 0.00 0.00 0.00 0.00 22 L 7.72 3.74 0.00 1.71 1.60 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.10 4.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.51 3.57 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 0.83 0.00 0.00 0.69 0.00 0.00 25 D 8.75 4.31 0.00 2.82 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 26 E 9.05 4.02 0.00 1.98 1.91 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 2.36 2.47 0.00 27 S 8.18 4.08 0.00 3.41 3.46 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 28 F 8.35 4.82 0.00 3.07 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 29 Q 7.82 4.42 0.00 2.33 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.79 0.00 0.00 0.00 0.00 0.00 1.70 2.46 0.00 30 P 0.00 4.51 0.00 2.25 2.21 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 31 T 8.15 4.07 4.76 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 1.40 0.00 0.00 32 A 8.49 4.35 1.85 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 0.00 0.00 33 V 8.24 3.75 2.40 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 1.07 0.00 0.00 1.11 0.00 0.00 34 G 8.49 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.92 3.87 0.00 3.34 3.22 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 0.00 36 A 8.48 3.89 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 37 E 7.94 3.53 0.00 1.97 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 38 A 7.69 3.94 1.09 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 0.00 0.00 39 L 7.30 3.79 0.00 1.69 1.58 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.80 4.31 0.00 2.69 2.36 0.00 0.00 7.15 6.63 0.00 0.00 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 N 8.33 4.34 0.00 2.58 2.47 0.00 0.00 6.50 7.61 0.00 0.00 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 K 8.38 4.66 0.00 1.70 1.57 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.24 7.81 43 D 9.05 4.43 0.00 2.79 2.33 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 44 K 8.83 4.64 0.00 1.76 1.79 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.39 7.81 45 P 0.00 4.24 0.00 2.13 2.07 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 46 E 8.13 4.03 0.00 2.06 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 0.00 2.26 2.32 0.00 47 D 8.09 4.61 0.00 2.85 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 48 A 7.39 3.87 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 49 V 8.19 4.22 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 0.86 0.00 0.00 0.98 0.00 0.00 50 L 8.32 4.38 0.00 1.63 1.59 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.37 4.75 0.00 3.01 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 52 V 8.10 3.67 2.12 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 1.02 0.00 0.00 0.98 0.00 0.00 53 Q 8.26 4.11 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 54 G 8.50 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.01 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 1.04 0.00 0.00 56 A 7.99 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.03 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 1.16 0.00 0.00 58 V 8.10 3.86 2.05 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 1.15 0.00 0.00 1.05 0.00 0.00 59 T 7.82 4.02 4.37 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 1.49 0.00 0.00 60 P 0.00 4.38 0.00 2.30 2.36 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 61 A 7.54 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.10 3.87 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 1.00 0.00 0.00 63 V 8.34 3.87 2.35 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 0.82 0.00 0.00 1.15 0.00 0.00 64 Q 8.53 4.12 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 65 A 8.52 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.75 4.25 0.00 3.37 3.35 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 67 T 7.69 3.85 4.50 0.00 0.00 0.00 0.00 0.00 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 68 Q 7.58 4.30 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.23 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 69 D 7.62 4.82 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.34 0.00 1.78 1.88 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.75 1.47 7.81 71 Q 8.07 4.70 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 72 A 8.05 4.36 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.68 4.73 0.00 2.79 2.75 0.00 0.00 6.54 7.71 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 74 F 9.26 4.35 0.00 3.52 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.35 0.00 1.61 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 76 D 8.39 4.32 0.00 2.89 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 77 K 8.09 3.92 0.00 2.08 1.86 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.53 7.81 78 V 7.53 3.42 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 0.83 0.00 0.00 0.07 0.00 0.00 79 K 7.94 3.97 0.00 1.94 1.81 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.59 7.81 80 G 8.26 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.29 4.02 0.00 2.11 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 0.00 2.49 2.54 0.00 82 W 8.28 4.22 0.00 3.46 3.27 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 83 D 7.91 4.53 0.00 2.92 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 84 K 7.65 4.21 0.00 1.79 1.75 0.00 2.07 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 85 I 7.35 3.41 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.80 0.00 0.00