NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0180 8.0544 114.0659 61.2149 32.9298 174.6509 2 V 4.1282 8.1926 122.1105 61.0391 32.5792 173.3839 3 Y 4.6440 8.4943 125.4213 57.2350 40.4549 174.2306 4 T 4.8271 8.3577 111.0063 60.4428 72.8824 172.4111 5 D 5.4651 8.4749 120.2056 52.8566 42.3120 176.7088 6 C 4.2724 8.6379 118.8058 60.6660 28.0874 173.8598 7 T 4.3945 8.6996 119.0045 63.8150 70.0717 174.4120 8 E 4.7789 7.7397 118.9174 54.2299 33.1400 174.6622 9 S 4.6855 8.3519 117.1554 58.6494 63.9009 174.5058 10 G 4.0226 9.3564 113.2216 45.3375 0.0000 173.4235 11 Q 4.9639 7.7436 119.2040 55.4171 30.4311 174.8758 12 N 4.6898 8.7827 116.1066 53.9610 38.5808 175.8673 13 L 5.2389 7.7597 119.4444 53.0129 38.9117 174.5820 14 C 4.8504 7.5206 114.2893 57.0738 34.2012 175.0247 15 L 4.0313 9.2223 120.0375 54.7500 40.9445 177.2941 16 C 4.1894 9.0971 125.5256 60.1426 32.3416 173.3694 17 E 4.2086 7.9927 124.9453 55.4030 28.8580 176.2966 18 G 4.1739 8.3303 113.1601 45.3972 0.0000 172.3377 19 S 4.5756 7.8471 114.3746 56.6206 65.2438 174.2688 20 N 4.3079 8.8762 121.2797 53.7813 39.1719 174.6326 21 V 4.5177 8.3334 125.4621 61.5124 31.2099 174.7813 22 C 4.3296 8.8869 128.3189 58.3520 33.0206 171.9711 23 G 4.2080 8.5022 114.8652 45.3719 0.0000 173.4387 24 Q 4.3477 8.8117 124.0378 56.1448 29.7671 176.0238 25 G 4.0177 9.1723 110.2768 44.7499 0.0000 172.2117 26 N 5.5107 7.2071 114.3560 51.4566 42.5718 174.0884 27 K 4.5059 9.1982 121.2595 55.5204 36.0410 174.2312 28 C 5.1180 9.5430 129.2353 58.4805 33.3384 172.0537 29 I 4.6880 8.7329 119.3693 59.1730 39.9415 174.4485 30 L 5.3091 8.2649 128.2897 52.0810 41.8004 176.9288 31 G 4.1637 8.3975 115.9628 44.1343 0.0000 175.4605 32 R 4.6287 8.6178 123.1877 55.5010 35.0341 177.1095 33 G 3.9114 8.1268 109.7338 47.3315 0.0000 176.5820 34 D 4.5135 8.8677 124.3750 53.9580 40.3686 176.4967 35 S 4.6406 7.7559 117.3631 57.3918 61.6733 174.4562 36 K 4.3555 7.6316 119.8956 57.8966 34.7687 177.4688 37 N 5.2284 7.9095 118.1812 52.4056 42.3133 173.6491 38 Q 4.4779 8.7613 124.7872 55.0671 33.2789 173.4935 39 C 4.8080 8.8587 124.7755 58.7510 27.7336 173.5782 40 V 4.2737 8.6649 124.2955 60.6861 33.4957 175.2915 41 T 4.6745 8.4089 112.5965 59.0198 69.5496 174.4243 42 G 4.2811 7.9184 115.6145 46.1940 0.0000 174.5692 43 E 4.8696 8.7513 125.2959 54.2862 32.1232 174.7358 44 G 4.4962 8.4800 116.7996 46.0859 0.0000 172.4206 45 T 4.8604 8.2266 117.5131 61.2506 73.5242 171.6882 46 P 4.4982 0.0000 0.0000 62.7155 31.9561 175.9601 47 K 4.1852 8.5920 126.8471 54.5691 32.4806 174.6209 48 P 4.4387 0.0000 0.0000 62.9068 31.8280 175.8607 49 Q 4.6387 8.4638 116.7039 56.0452 33.5701 174.7741 50 S 4.7245 7.7241 112.3083 56.2098 65.3538 173.5143 51 H 4.4278 8.7861 119.6934 56.2296 28.4493 175.2045 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 V 8.05 4.02 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 0.92 0.00 0.00 1.12 0.00 0.00 2 V 8.19 4.13 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 0.90 0.00 0.00 0.95 0.00 0.00 3 Y 8.49 4.64 0.00 2.91 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 4 T 8.36 4.83 4.26 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 1.22 0.00 0.00 5 D 8.47 5.47 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.64 4.27 0.00 2.87 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 7 T 8.70 4.39 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 8 E 7.74 4.78 0.00 1.99 1.88 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 2.28 2.23 0.00 9 S 8.35 4.69 0.00 3.86 3.80 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 10 G 9.36 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.74 4.96 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 12 N 8.78 4.69 0.00 2.81 3.04 0.00 0.00 7.29 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.76 5.24 0.00 1.56 1.74 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.52 4.85 0.00 3.06 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 15 L 9.22 4.03 0.00 1.60 1.69 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 C 9.10 4.19 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.99 4.21 0.00 2.07 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 2.35 2.30 0.00 18 G 8.33 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 0.00 0.00 0.00 0.00 19 S 7.85 4.58 0.00 3.91 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 20 N 8.88 4.31 0.00 2.74 2.81 0.00 0.00 6.81 7.46 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 21 V 8.33 4.52 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 0.68 0.00 0.00 0.81 0.00 0.00 22 C 8.89 4.33 0.00 3.11 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 23 G 8.50 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.81 4.35 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 25 G 9.17 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.21 5.51 0.00 2.70 2.71 0.00 0.00 6.66 7.49 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 27 K 9.20 4.51 0.00 1.72 1.60 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.42 7.81 28 C 9.54 5.12 0.00 3.02 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 29 I 8.73 4.69 1.87 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 1.23 1.02 0.91 0.00 0.00 30 L 8.26 5.31 0.00 1.54 1.71 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.40 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 0.00 0.00 0.00 0.00 32 R 8.62 4.63 0.00 1.83 1.78 0.00 3.25 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 33 G 8.13 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 34 D 8.87 4.51 0.00 2.79 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 35 S 7.76 4.64 0.00 3.91 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 36 K 7.63 4.36 0.00 1.91 2.03 0.00 1.46 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.61 7.81 37 N 7.91 5.23 0.00 2.56 2.73 0.00 0.00 6.63 7.70 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 38 Q 8.76 4.48 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 39 C 8.86 4.81 0.00 3.02 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 40 V 8.66 4.27 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 0.89 0.00 0.00 0.93 0.00 0.00 41 T 8.41 4.67 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 1.28 0.00 0.00 42 G 7.92 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.75 4.87 0.00 2.02 1.90 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 2.16 2.28 0.00 44 G 8.48 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 0.00 0.00 0.00 0.00 45 T 8.23 4.86 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 1.21 0.00 0.00 46 P 0.00 4.50 0.00 1.92 1.99 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 47 K 8.59 4.19 0.00 1.71 1.71 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 48 P 0.00 4.44 0.00 2.07 1.96 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 49 Q 8.46 4.64 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 50 S 7.72 4.72 0.00 3.92 3.80 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 51 H 8.79 4.43 0.00 3.12 3.23 0.00 5.75 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