NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2278 8.4449 120.3515 55.9912 30.9777 172.7473 3 Y 4.6015 8.0322 122.6305 56.1850 39.2212 172.2506 4 E 4.1303 9.5422 122.7428 56.6718 31.0014 176.3199 5 E 4.6322 8.6694 121.9715 54.9891 32.9260 175.4471 6 G 3.8939 8.8069 106.2683 43.7407 0.0000 171.3314 7 P 4.2767 0.0000 0.0000 64.4361 31.3974 177.3001 8 G 3.8964 9.0300 110.7126 45.4504 0.0000 173.5323 9 K 4.4501 7.9681 116.9876 55.8229 33.8691 176.2518 10 N 4.9042 7.9376 115.8652 52.1471 37.8069 174.4940 11 I 4.4443 7.0598 110.3152 59.2971 40.4796 173.0385 12 P 4.4187 0.0000 0.0000 63.1666 31.6639 175.4537 13 F 4.9581 6.6363 113.0296 54.9803 40.8524 174.0405 14 S 4.5965 8.5187 115.5363 57.4542 63.2441 174.0911 15 V 4.4994 7.9575 119.1070 61.0948 32.4319 176.9318 16 E 3.9532 8.1771 121.6556 58.7719 29.7273 176.9511 17 N 4.9147 7.8701 118.3265 51.1222 41.4426 174.8202 18 K 4.0045 8.4720 128.2489 59.1756 32.5566 178.6245 19 W 4.5205 7.8551 119.8690 59.0413 29.5501 178.3146 20 R 3.9803 8.5948 118.9242 59.2328 29.5345 178.2785 21 L 3.9498 8.5430 120.5479 58.1229 42.0305 178.6039 22 L 3.9417 7.7956 119.6783 58.2044 42.0674 178.8130 23 A 4.0533 8.1155 120.5923 55.3411 18.3163 179.5750 24 M 4.0166 7.9409 117.0275 59.0291 32.0260 179.0287 25 M 4.3766 8.2346 118.7828 58.4449 32.1144 179.0114 26 T 3.9688 8.2581 116.2083 66.6613 68.6061 176.5695 27 L 4.0154 7.8855 120.5429 58.2793 41.5636 178.7863 28 F 4.0771 8.8540 120.7972 61.8126 39.1564 177.1251 29 F 4.1793 9.1847 117.5795 60.1942 38.9151 178.2577 30 G 3.7334 8.7614 106.3242 47.7892 0.0000 175.9276 31 S 4.2465 8.4425 117.4739 60.9652 62.7423 176.4371 32 G 3.7132 7.3950 108.6084 47.8263 0.0000 175.1440 33 F 4.4265 8.3922 122.0682 60.4737 39.6877 176.6375 34 A 4.4711 8.4650 120.4221 54.4827 18.4293 179.0565 35 A 4.0257 7.9407 119.2232 55.3711 18.3731 178.2127 36 P 4.1415 0.0000 0.0000 65.5651 31.2936 178.9207 37 F 3.9561 8.1052 116.8163 60.5383 38.7267 177.7154 38 F 4.2314 8.4125 116.8440 60.1569 38.7265 177.8792 39 I 3.7921 8.0181 119.9115 64.2008 36.9290 178.4205 40 V 3.5210 7.9135 119.2584 65.8991 31.3236 177.7445 41 R 3.8353 8.2959 118.8257 60.0096 28.5605 177.8100 42 H 4.1657 8.4196 118.0584 59.5161 29.4679 177.2119 43 Q 4.1771 8.3803 120.1246 58.7950 28.3554 178.4693 44 L 4.2027 7.9181 119.0994 57.0303 41.7329 178.4011 45 L 4.3676 7.5507 116.7763 54.9253 41.7054 177.7151 46 K 4.3449 7.0981 116.1433 57.4295 33.2834 176.1838 47 K 4.0552 7.3801 123.2911 56.8717 32.4486 174.9225 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 2 H 8.44 4.23 0.00 3.05 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.03 4.60 0.00 3.14 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.54 4.13 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 2.35 2.29 0.00 5 E 8.67 4.63 0.00 1.91 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 2.34 2.24 0.00 6 G 8.81 3.89 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 0.00 0.00 0.00 7 P 0.00 4.28 0.00 2.02 2.02 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 9.03 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 0.00 0.00 0.00 0.00 9 K 7.97 4.45 0.00 1.79 1.77 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 10 N 7.94 4.90 0.00 2.75 2.83 0.00 0.00 5.83 7.81 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 11 I 7.06 4.44 0.64 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.24 0.68 0.00 0.00 12 P 0.00 4.42 0.00 2.21 2.14 0.00 3.49 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 13 F 6.64 4.96 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.52 4.60 0.00 3.84 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 15 V 7.96 4.50 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 0.93 0.00 0.00 0.89 0.00 0.00 16 E 8.18 3.95 0.00 1.94 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 2.33 2.31 0.00 17 N 7.87 4.91 0.00 2.79 2.68 0.00 0.00 6.83 6.75 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 18 K 8.47 4.00 0.00 1.57 1.76 0.00 0.84 0.00 0.00 1.23 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.84 0.21 7.81 19 W 7.86 4.52 0.00 3.63 3.31 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 0.00 20 R 8.59 3.98 0.00 2.08 2.09 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.54 3.95 0.00 1.80 1.81 1.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.80 3.94 0.00 2.01 1.99 0.95 1.07 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 23 A 8.12 4.05 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 24 M 7.94 4.02 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.97 0.00 25 M 8.23 4.38 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 26 T 8.26 3.97 4.56 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 1.27 0.00 0.00 27 L 7.89 4.02 0.00 1.99 1.77 0.95 0.92 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 28 F 8.85 4.08 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.18 4.18 0.00 3.28 3.05 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 0.00 0.00 0.00 0.00 30 G 8.76 3.73 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 0.00 0.00 0.00 31 S 8.44 4.25 0.00 4.00 4.11 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 0.00 0.00 0.00 32 G 7.39 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 0.00 0.00 0.00 33 F 8.39 4.43 0.00 3.17 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 34 A 8.46 4.47 1.56 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 35 A 7.94 4.03 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 36 P 0.00 4.14 0.00 1.63 1.85 0.00 3.64 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 1.90 2.06 0.00 37 F 8.11 3.96 0.00 3.24 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 38 F 8.41 4.23 0.00 3.18 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 39 I 8.02 3.79 1.85 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 1.40 0.93 0.91 0.00 0.00 40 V 7.91 3.52 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 8.30 3.84 0.00 1.81 2.11 0.00 3.05 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 42 H 8.42 4.17 0.00 3.39 3.49 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.38 4.18 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 44 L 7.92 4.20 0.00 1.61 1.71 0.90 0.85 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 45 L 7.55 4.37 0.00 1.75 1.68 0.94 0.87 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 46 K 7.10 4.34 0.00 1.77 1.80 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 K 7.38 4.06 0.00 1.75 1.59 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.36 7.81