NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.2418 8.1844 120.6296 54.6176 42.3947 177.1136 14 S 4.2093 8.4468 121.0721 56.6898 64.0870 171.9749 15 P 4.5446 0.0000 0.0000 63.2956 29.7687 175.2358 16 Q 4.0430 8.0658 121.9155 56.9882 29.9663 175.1275 17 Y 4.4548 7.8313 114.2488 56.1254 40.7833 173.3916 18 N 5.2361 8.1494 124.2743 50.1963 40.3802 174.2058 19 W 4.3486 8.6752 114.0368 60.8209 27.7687 177.7099 20 V 3.7895 7.3762 118.0034 65.3822 31.0385 177.5568 21 A 3.9845 8.0128 119.7214 55.6010 18.2527 180.1796 22 C 4.5162 8.6432 115.0290 60.0464 37.5255 176.4836 23 G 3.6342 7.8279 105.8574 47.9248 0.0000 175.3470 24 I 3.7081 7.7827 122.9018 64.1078 37.2142 178.0644 25 L 3.9629 8.0522 120.5754 58.1678 41.9628 178.2489 26 E 4.0065 8.7639 119.7459 59.5531 29.4371 178.6477 27 G 3.9148 8.5973 105.8601 48.3501 0.0000 175.6478 28 G 3.8123 8.1196 108.2977 47.1681 0.0000 175.6012 29 L 4.0910 7.8518 120.6531 57.4641 41.4691 179.6095 30 K 4.0046 7.9669 117.5359 59.2029 32.0453 178.9299 31 A 4.1339 8.2404 120.3653 55.2084 17.4611 179.2818 32 A 4.1775 8.1170 118.2282 52.8375 18.2131 179.1351 33 G 3.8466 7.5849 104.4507 46.0492 0.0000 175.1817 34 V 3.8409 7.1864 114.3995 62.5874 32.0350 176.4595 35 L 4.8874 7.5766 120.2778 53.2351 42.9276 174.9475 36 E 4.7458 8.3819 123.2602 54.2686 33.4713 174.2179 37 E 3.9785 8.7970 120.5120 57.4250 30.6122 177.0534 38 G 3.8236 8.3506 114.9443 46.5444 0.0000 171.3561 39 Q 4.3911 7.1753 117.1934 54.6262 31.9368 174.8683 40 Y 4.7240 8.2007 115.5587 56.7496 39.7355 176.7568 41 N 4.0633 8.3758 121.1008 56.9597 39.1047 176.7886 42 R 3.8829 8.0090 120.0287 59.7980 30.0836 178.0113 43 E 3.9850 8.2201 117.9414 59.3671 29.4348 179.2412 44 L 3.8909 7.9011 119.3273 58.2288 42.4161 178.4573 45 A 4.0453 8.1258 120.7539 55.5572 18.1938 179.5176 46 E 3.9541 8.7851 117.0354 59.2196 29.5008 179.5149 47 A 3.9971 8.1439 121.0628 55.0578 18.5778 179.4487 48 I 3.6065 8.4268 118.6291 64.6833 37.2099 178.3654 49 A 4.1471 7.9407 120.8515 55.2731 17.9932 179.4909 50 A 3.9974 7.6340 117.7017 55.3027 18.4886 179.6826 51 K 4.2440 7.9177 116.0617 58.9742 32.2658 179.3837 52 G 3.9114 7.8769 106.6867 45.3653 0.0000 174.3054 53 E 4.3675 7.7589 121.1603 56.6901 31.2140 174.0783 54 G 4.2967 8.2769 114.1383 45.6384 0.0000 173.5793 55 F 4.3381 9.3153 127.4485 59.1693 40.3653 176.9472 56 W 4.7407 8.1417 120.0577 59.1436 28.8004 178.6496 57 T 4.2664 8.0864 109.4370 65.0086 68.6715 176.5479 58 T 4.0465 7.8804 110.7357 63.6912 69.0840 175.8218 59 Q 4.3248 7.5253 118.8260 55.7833 29.6314 175.5909 60 F 4.7014 8.1453 119.1427 54.8364 41.0343 174.2438 61 P 4.7135 0.0000 0.0000 64.7446 31.0750 178.3847 62 Q 4.1130 8.2555 118.6601 58.8969 28.9858 177.6150 63 I 4.2734 7.9222 120.4486 63.5778 37.6665 178.1675 64 G 3.7598 8.6423 107.2260 47.9733 0.0000 175.1653 65 D 4.5199 8.6338 120.4240 56.1639 41.2302 178.0360 66 W 4.1541 7.9706 127.9772 60.0943 30.4576 177.3602 67 N 4.2398 8.8059 117.7066 56.9083 38.4831 176.7445 68 E 4.0345 8.1320 119.4869 59.4577 29.3860 179.0890 69 D 4.2895 8.1316 118.9171 57.4889 40.9050 178.8475 70 Q 3.7293 7.6733 118.0365 58.1515 28.5886 178.0741 71 A 3.8780 8.1450 122.1734 55.2106 18.3650 179.6069 72 A 3.8675 7.9071 118.8468 55.2872 18.2704 179.8002 73 A 4.1255 7.6564 119.0088 54.6538 18.2529 179.7199 74 L 3.8431 7.7862 119.1026 58.2176 42.2470 178.8832 75 A 3.9592 7.7295 120.5749 54.9809 18.1200 179.3119 76 D 4.2380 8.0266 117.5961 57.8139 40.9684 179.2937 77 R 3.6201 7.5905 117.9783 58.9469 29.8779 178.9877 78 A 3.9068 8.1254 121.1047 55.2047 18.3846 179.5122 79 Q 4.0833 8.4303 118.4963 59.5577 28.8992 178.4534 80 T 3.8950 7.9092 116.3557 66.3527 68.4987 175.2537 81 C 4.5810 7.8808 116.7620 57.2164 40.4987 174.6783 82 G 3.9073 7.8089 108.4679 45.6988 0.0000 174.4846 83 L 4.2476 8.0897 119.5871 56.0682 42.0035 177.3091 84 V 4.6335 7.1309 110.2490 59.4178 36.0431 175.0865 85 K 4.3705 8.3719 122.1029 55.7117 33.4538 176.5137 86 A 5.2768 8.3890 123.1130 51.8379 19.0390 177.4372 87 D 4.5265 8.6128 119.9427 54.6864 41.8688 176.7881 88 T 4.0326 7.7664 115.5742 62.6202 67.2131 173.2489 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 13 L 8.18 4.24 0.00 1.66 1.58 0.93 0.48 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 14 S 8.45 4.21 0.00 3.84 3.71 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 0.00 0.00 0.00 0.00 15 P 0.00 4.54 0.00 2.00 1.95 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 16 Q 8.07 4.04 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 17 Y 7.83 4.45 0.00 2.92 2.83 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 0.00 0.00 0.00 18 N 8.15 5.24 0.00 2.45 2.70 0.00 0.00 5.93 8.88 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 19 W 8.68 4.35 0.00 3.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.79 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 1.01 0.00 0.00 0.83 0.00 0.00 21 A 8.01 3.98 1.13 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 22 C 8.64 4.52 0.00 3.19 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 23 G 7.83 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.78 3.71 2.04 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 1.65 1.39 0.93 0.00 0.00 25 L 8.05 3.96 0.00 1.91 1.95 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.76 4.01 0.00 2.13 2.14 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 2.33 2.36 0.00 27 G 8.60 3.91 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 0.00 0.00 0.00 28 G 8.12 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.09 0.00 1.83 1.72 0.95 0.86 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 30 K 7.97 4.00 0.00 1.92 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 31 A 8.24 4.13 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 32 A 8.12 4.18 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 33 G 7.58 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 0.00 0.00 0.00 34 V 7.19 3.84 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 0.71 0.00 0.00 1.01 0.00 0.00 35 L 7.58 4.89 0.00 1.57 1.55 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.38 4.75 0.00 1.93 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 2.19 2.25 0.00 37 E 8.80 3.98 0.00 1.89 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 2.26 2.33 0.00 38 G 8.35 3.82 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 0.00 0.00 0.00 39 Q 7.18 4.39 0.00 2.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 40 Y 8.20 4.72 0.00 3.00 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 41 N 8.38 4.06 0.00 2.90 3.25 0.00 0.00 6.92 7.53 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 42 R 8.01 3.88 0.00 1.86 1.95 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 43 E 8.22 3.98 0.00 2.32 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 2.39 2.43 0.00 44 L 7.90 3.89 0.00 1.86 1.82 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.13 4.05 1.38 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 46 E 8.79 3.95 0.00 2.21 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 2.33 2.47 0.00 47 A 8.14 4.00 1.36 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 0.00 0.00 0.00 48 I 8.43 3.61 1.85 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 1.45 0.95 0.89 0.00 0.00 49 A 7.94 4.15 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 50 A 7.63 4.00 1.36 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 0.00 0.00 0.00 51 K 7.92 4.24 0.00 1.98 1.91 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.61 7.81 52 G 7.88 3.91 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 0.00 0.00 0.00 53 E 7.76 4.37 0.00 2.04 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 2.40 2.44 0.00 54 G 8.28 4.30 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 0.00 55 F 9.32 4.34 0.00 2.93 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 56 W 8.14 4.74 0.00 3.55 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 57 T 8.09 4.27 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 1.40 0.00 0.00 58 T 7.88 4.05 4.16 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 1.22 0.00 0.00 59 Q 7.53 4.32 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 60 F 8.15 4.70 0.00 3.34 3.04 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 61 P 0.00 4.71 0.00 2.20 2.12 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 62 Q 8.26 4.11 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 63 I 7.92 4.27 2.31 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 1.02 0.00 0.00 64 G 8.64 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 0.00 0.00 0.00 65 D 8.63 4.52 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.97 4.15 0.00 3.65 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 N 8.81 4.24 0.00 3.06 3.11 0.00 0.00 7.15 7.19 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 68 E 8.13 4.03 0.00 2.10 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 2.34 2.49 0.00 69 D 8.13 4.29 0.00 2.76 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 70 Q 7.67 3.73 0.00 1.35 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 71 A 8.14 3.88 1.38 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 72 A 7.91 3.87 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 73 A 7.66 4.13 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 74 L 7.79 3.84 0.00 1.89 1.76 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.73 3.96 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 76 D 8.03 4.24 0.00 2.84 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 77 R 7.59 3.62 0.00 1.80 1.43 0.00 3.03 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.46 0.00 78 A 8.13 3.91 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 79 Q 8.43 4.08 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 80 T 7.91 3.90 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 1.17 0.00 0.00 81 C 7.88 4.58 0.00 3.10 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 82 G 7.81 3.91 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 0.00 0.00 0.00 83 L 8.09 4.25 0.00 1.64 1.71 0.92 0.73 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 84 V 7.13 4.63 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 0.67 0.00 0.00 0.92 0.00 0.00 85 K 8.37 4.37 0.00 1.40 1.75 0.00 1.34 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.38 7.81 86 A 8.39 5.28 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 87 D 8.61 4.53 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 88 T 7.77 4.03 4.17 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 0.97 0.00 0.00