NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.3676 8.1133 117.2877 55.9939 30.3465 177.3661 11 E 3.9104 8.7174 113.1935 57.2301 29.3575 177.3124 12 I 3.7925 7.9519 113.5276 64.1469 38.1662 177.3148 13 H 4.3516 8.3210 119.6101 59.0633 29.6864 176.8399 14 Q 4.0485 8.1235 121.4472 58.8061 28.8254 177.4388 15 D 4.2575 8.0716 119.4198 56.9921 41.2369 178.2383 16 W 4.1420 8.3959 119.3742 59.7082 29.0732 178.3905 17 A 4.0961 7.9465 120.8740 55.2461 17.8508 179.3801 18 N 4.3404 8.5294 115.3732 56.7078 38.5768 177.8638 19 R 4.0510 8.3147 119.3908 58.6988 30.1852 178.6342 20 E 3.9879 8.3925 119.4877 59.3926 29.7359 178.1075 21 Y 4.0824 8.1604 119.4903 60.8860 38.8605 178.1234 22 I 3.6284 8.0193 120.5965 64.4646 37.2454 177.9637 23 E 4.0128 8.4634 121.7145 58.7929 29.5425 178.9919 24 I 3.6874 7.7620 119.8063 64.3383 37.1579 178.5650 25 I 3.5982 7.3940 120.7978 64.4442 36.8960 178.6225 26 T 3.8607 7.9409 110.7559 64.7454 68.6122 176.4608 27 S 4.1607 8.0871 115.9740 61.4036 62.5154 176.4589 28 S 4.1665 7.9049 117.4703 61.4250 62.4737 176.7738 29 I 3.7168 7.8550 122.7815 64.2027 36.7609 178.3334 30 K 3.9637 8.1318 120.5186 59.4383 31.9733 179.0378 31 K 4.0282 7.9813 118.7474 59.3307 31.9237 179.4769 32 I 3.7451 7.7176 119.7983 64.2113 37.0406 178.2361 33 A 4.0355 8.1702 121.6419 55.2647 18.2242 179.1974 34 D 4.3387 8.4029 117.6922 57.7243 40.9205 178.8682 35 F 4.1329 8.2415 120.8914 61.3621 39.3250 176.9339 36 L 3.7841 8.0834 119.8499 58.0616 41.9057 178.7577 37 N 4.3386 8.3291 116.7935 56.3506 38.6794 177.5670 38 S 4.2081 8.1876 115.2654 60.7407 63.2331 176.2955 39 F 3.8374 8.0299 125.0812 60.8835 39.0163 176.5151 40 D 4.2806 8.1003 117.7198 57.7384 41.0488 178.1676 41 M 3.9759 7.9178 119.0286 58.5049 32.0628 178.7766 42 S 3.9969 7.7814 112.9148 61.5507 62.4642 175.9978 43 C 4.0225 7.8159 119.2757 62.2918 27.7661 176.2541 44 R 3.8648 7.9912 120.0892 59.2224 29.5623 179.1247 45 S 4.0697 7.7674 114.4080 61.7731 62.8925 177.0476 46 R 3.8736 7.7204 120.1480 59.2762 29.7785 179.2190 47 L 4.0029 8.3249 118.9940 57.4523 41.4888 179.4107 48 A 3.9716 8.0221 120.9022 55.4403 18.3620 179.7755 49 T 3.7845 8.0662 114.3827 66.8324 68.4686 176.8908 50 L 4.0011 7.9910 120.8439 57.7711 41.5796 179.1563 51 N 4.2806 8.3306 117.1018 56.3631 38.9850 176.4591 52 E 3.8718 8.3506 120.9792 59.2789 29.6827 178.8404 53 K 3.9233 8.0402 119.4637 59.3418 32.2108 178.4853 54 L 3.9242 8.0994 120.7393 58.4758 42.0278 178.9403 55 T 4.0850 8.5679 117.1744 66.0023 68.3158 176.3697 56 A 3.9847 7.8873 122.2109 55.2913 18.5826 179.7304 57 L 3.9652 8.1879 117.6614 57.8790 41.5303 179.7051 58 E 4.0059 8.5191 118.9240 59.3975 29.4069 179.5668 59 R 4.0320 8.1373 118.1465 59.2569 30.0678 179.0431 60 R 4.0122 8.3534 118.8434 59.5165 29.9818 178.6648 61 I 3.7141 7.7442 119.2193 64.2934 37.2414 177.7250 62 E 3.9278 8.1618 120.2405 59.6001 29.4714 178.4102 63 Y 4.1202 8.1033 119.1270 60.8709 38.7404 177.8750 64 I 3.2956 7.8160 119.5354 64.2864 37.4938 177.7997 65 E 4.0420 8.4735 119.5038 59.6079 29.4285 179.4949 66 A 4.0448 7.8838 120.0169 54.9473 18.1463 179.8195 67 R 3.8575 7.4375 115.4728 58.2783 30.1447 177.6001 68 V 4.1665 7.4013 116.0639 62.6471 32.6792 175.3426 69 T 4.6802 7.0450 114.5030 61.7097 71.1343 174.1847 70 K 4.1429 8.4082 123.8079 56.1646 32.7545 177.3114 71 G 3.9272 8.2293 110.7597 44.7240 0.0000 172.7553 72 E 4.3330 8.3510 119.0556 55.4500 30.4076 177.2198 73 T 4.1017 8.4108 112.2432 61.9866 69.0497 174.3514 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 R 8.11 4.37 0.00 2.03 2.03 0.00 2.95 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 11 E 8.72 3.91 0.00 2.12 2.04 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 2.40 2.44 0.00 12 I 7.95 3.79 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.93 0.00 0.00 13 H 8.32 4.35 0.00 3.37 3.60 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.12 4.05 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 15 D 8.07 4.26 0.00 2.95 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.14 0.00 3.55 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 17 A 7.95 4.10 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 18 N 8.53 4.34 0.00 2.93 2.90 0.00 0.00 7.07 7.73 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 19 R 8.31 4.05 0.00 1.80 1.94 0.00 2.98 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 20 E 8.39 3.99 0.00 2.18 2.28 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 2.39 2.38 0.00 21 Y 8.16 4.08 0.00 3.15 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 22 I 8.02 3.63 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.91 0.00 0.00 23 E 8.46 4.01 0.00 2.29 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 2.34 2.27 0.00 24 I 7.76 3.69 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 1.50 1.04 0.83 0.00 0.00 25 I 7.39 3.60 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.81 0.00 0.00 26 T 7.94 3.86 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 1.20 0.00 0.00 27 S 8.09 4.16 0.00 4.09 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 28 S 7.90 4.17 0.00 4.04 3.85 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 29 I 7.85 3.72 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 1.39 0.73 0.91 0.00 0.00 30 K 8.13 3.96 0.00 2.01 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 31 K 7.98 4.03 0.00 2.05 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.66 7.81 32 I 7.72 3.75 2.03 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 1.41 1.06 0.94 0.00 0.00 33 A 8.17 4.04 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 34 D 8.40 4.34 0.00 2.91 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 35 F 8.24 4.13 0.00 3.20 3.26 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 36 L 8.08 3.78 0.00 2.14 1.79 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.33 4.34 0.00 2.91 2.83 0.00 0.00 6.79 7.17 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 38 S 8.19 4.21 0.00 4.02 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 39 F 8.03 3.84 0.00 2.26 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 40 D 8.10 4.28 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.92 3.98 0.00 2.03 2.04 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 2.88 0.00 42 S 7.78 4.00 0.00 3.86 3.69 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 0.00 0.00 0.00 43 C 7.82 4.02 0.00 2.90 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 44 R 7.99 3.86 0.00 1.94 1.93 0.00 3.26 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 45 S 7.77 4.07 0.00 3.96 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 7.72 3.87 0.00 1.93 1.92 0.00 3.05 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 47 L 8.32 4.00 0.00 1.67 1.69 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.02 3.97 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 49 T 8.07 3.78 4.36 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 1.19 0.00 0.00 50 L 7.99 4.00 0.00 1.84 1.71 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.33 4.28 0.00 2.97 2.92 0.00 0.00 6.84 7.23 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 52 E 8.35 3.87 0.00 2.16 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 0.00 2.30 2.31 0.00 53 K 8.04 3.92 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 54 L 8.10 3.92 0.00 1.87 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.57 4.09 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 56 A 7.89 3.98 1.39 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 0.00 0.00 57 L 8.19 3.97 0.00 1.98 1.74 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.52 4.01 0.00 2.18 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 2.33 2.50 0.00 59 R 8.14 4.03 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 60 R 8.35 4.01 0.00 1.98 1.97 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 61 I 7.74 3.71 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.92 0.00 0.00 62 E 8.16 3.93 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 63 Y 8.10 4.12 0.00 3.08 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 64 I 7.82 3.30 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 0.84 0.00 0.00 65 E 8.47 4.04 0.00 2.21 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 2.31 2.46 0.00 66 A 7.88 4.04 1.39 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 0.00 0.00 67 R 7.44 3.86 0.00 1.78 1.84 0.00 2.36 0.00 0.00 2.75 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.00 68 V 7.40 4.17 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 0.76 0.00 0.00 0.93 0.00 0.00 69 T 7.04 4.68 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 1.20 0.00 0.00 70 K 8.41 4.14 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 71 G 8.23 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 72 E 8.35 4.33 0.00 1.97 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 2.29 2.29 0.00 73 T 8.41 4.10 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