NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8922 8.0501 120.3910 63.6215 32.1883 175.5576 2 A 3.5574 8.1130 133.1297 50.7488 16.2387 174.9092 3 P 4.1693 0.0000 0.0000 63.9459 33.7207 171.4027 4 T 3.3185 12.0000 120.1984 63.1337 69.4899 173.6172 5 L 3.9911 8.4816 125.6752 58.0714 41.7756 179.7276 6 T 3.8035 7.8630 109.0898 64.6524 68.7111 176.0231 7 A 3.9986 7.9833 123.1327 55.2001 18.4231 179.7302 8 R 3.9863 7.9041 115.9783 59.2212 30.0213 179.1748 9 L 3.8486 8.1786 119.3238 57.6503 41.4056 178.9984 10 Y 3.9582 8.3303 119.7702 60.5947 38.6660 177.3398 11 S 3.9915 8.3621 113.1826 61.5162 62.6323 175.8037 12 L 4.3242 8.2007 119.4986 56.0511 41.7660 177.5109 13 L 4.8826 7.7226 115.0295 53.8267 43.8988 176.8806 14 F 5.1365 8.0946 115.0572 57.2048 40.3075 176.5059 15 R 3.4802 7.6565 120.6212 57.9096 30.2938 176.1175 16 R 4.5747 7.1402 115.3724 54.9638 31.8228 176.9018 17 T 4.1211 8.2242 118.8806 66.1798 68.5231 177.0448 18 S 4.2089 8.0813 117.9597 61.5114 62.9199 176.1056 19 T 3.8383 7.8836 111.6878 64.9911 68.4455 175.6063 20 F 3.9921 8.0691 123.2429 61.1026 39.3561 176.8591 21 A 3.8748 8.4222 120.2961 55.1516 18.2731 179.0370 22 L 3.8964 8.5660 119.4266 58.7669 41.9052 179.4543 23 T 3.9235 8.5400 109.7680 64.7495 68.8020 176.4914 24 I 3.6214 7.5268 122.7634 64.1900 37.0020 178.5696 25 V 3.6208 7.8226 118.8572 65.8869 30.9225 178.2894 26 V 3.7890 8.0605 118.2651 66.0172 31.5430 178.3556 27 G 3.7931 9.2644 106.3646 47.3978 0.0000 175.6559 28 A 4.0583 8.4610 123.6178 55.6465 18.4521 178.8961 29 L 3.8135 7.8229 116.8903 58.3661 41.5657 179.5573 30 F 4.0466 8.2018 115.5640 60.8203 39.2041 177.4737 31 F 4.0900 8.3187 119.8043 61.4411 39.0301 176.6230 32 E 3.9174 8.3984 118.5454 59.4039 29.1504 178.5651 33 R 3.8308 8.0151 118.2691 59.4801 30.0742 178.3057 34 A 4.0036 8.5947 120.6092 55.0686 18.3429 179.4486 35 F 3.7795 8.3276 119.3719 61.4088 39.6099 176.5981 36 D 4.3070 8.3721 118.3407 57.6761 40.7707 178.6042 37 Q 4.0566 7.7709 116.5885 58.9744 28.8212 178.4366 38 G 3.5772 7.9598 107.5460 47.5295 0.0000 175.5784 39 A 3.8307 8.1147 124.5950 54.5748 18.0323 179.4706 40 D 4.1925 7.5259 115.9630 57.5160 40.7157 178.4673 41 A 4.0535 8.8652 122.4355 55.1012 18.1908 179.3269 42 I 3.7957 8.1355 117.6236 65.0245 37.6883 177.4717 43 Y 4.2317 8.2744 120.1559 60.6787 38.0834 177.9380 44 E 4.1362 9.1631 115.1666 57.1136 29.8982 176.9164 45 H 4.7325 7.8269 116.2469 55.3664 29.2986 176.6640 46 I 4.5521 6.9559 116.2832 60.4368 39.1070 174.7016 47 N 4.8381 7.8686 123.7887 52.8510 39.6935 175.3840 48 E 4.2848 8.2315 121.8342 56.2299 28.7863 177.8278 49 G 3.7163 6.8584 108.9904 47.8866 0.0000 174.4733 50 K 4.6882 7.7558 121.9524 55.3389 30.6418 175.2258 51 L 4.0577 8.7488 127.4276 57.7486 41.4143 179.2651 52 W 4.0879 8.2632 118.0459 59.6913 28.8937 178.2637 53 K 4.1495 8.2121 118.6623 59.7328 32.0284 178.2196 54 H 4.4854 8.2882 115.1273 58.6814 28.4455 177.1837 55 I 3.4054 7.6698 122.0070 64.3167 36.9635 178.1135 56 K 4.1143 7.4799 116.7750 59.5728 31.9343 179.0069 57 H 4.3094 7.8415 115.1472 58.6501 28.8611 175.7140 58 K 4.1935 7.9172 122.5532 56.5466 32.1708 176.6492 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 3.89 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 0.96 0.00 0.00 0.92 0.00 0.00 2 A 8.11 3.56 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.17 0.00 2.04 2.13 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 4 T 12.00 3.32 4.23 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 1.20 0.00 0.00 5 L 8.48 3.99 0.00 1.71 1.68 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.86 3.80 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 7 A 7.98 4.00 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.90 3.99 0.00 2.00 1.95 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 9 L 8.18 3.85 0.00 1.49 0.79 0.83 0.53 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 10 Y 8.33 3.96 0.00 2.99 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 11 S 8.36 3.99 0.00 3.92 4.03 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 0.00 0.00 0.00 12 L 8.20 4.32 0.00 1.66 1.69 0.91 0.94 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 13 L 7.72 4.88 0.00 1.69 1.99 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.09 5.14 0.00 2.91 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 R 7.66 3.48 0.00 1.36 1.74 0.00 3.21 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 16 R 7.14 4.57 0.00 1.83 1.77 0.00 3.14 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 17 T 8.22 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 S 8.08 4.21 0.00 3.88 3.88 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 19 T 7.88 3.84 4.38 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 1.24 0.00 0.00 20 F 8.07 3.99 0.00 3.17 3.24 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 21 A 8.42 3.87 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.57 3.90 0.00 1.81 1.88 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.54 3.92 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 24 I 7.53 3.62 1.75 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.12 0.76 0.00 0.00 25 V 7.82 3.62 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 0.99 0.00 0.00 0.97 0.00 0.00 26 V 8.06 3.79 2.26 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 1.17 0.00 0.00 1.03 0.00 0.00 27 G 9.26 3.79 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 0.00 0.00 0.00 28 A 8.46 4.06 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.82 3.81 0.00 1.81 1.28 0.72 1.38 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 30 F 8.20 4.05 0.00 3.27 3.19 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 0.00 31 F 8.32 4.09 0.00 3.35 3.33 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 32 E 8.40 3.92 0.00 2.19 2.18 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 2.33 2.39 0.00 33 R 8.02 3.83 0.00 1.87 2.05 0.00 3.18 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 34 A 8.59 4.00 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 35 F 8.33 3.78 0.00 2.11 2.56 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 36 D 8.37 4.31 0.00 3.04 2.66 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 0.00 0.00 0.00 0.00 37 Q 7.77 4.06 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 38 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 3.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.19 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.80 1.86 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 1.40 0.67 0.92 0.00 0.00 43 Y 8.27 4.23 0.00 3.15 3.19 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 0.00 44 E 9.16 4.14 0.00 2.14 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 0.00 2.47 2.22 0.00 45 H 7.83 4.73 0.00 3.30 3.30 0.00 5.66 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 6.96 4.55 1.65 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.76 0.00 0.00 47 N 7.87 4.84 0.00 2.75 2.81 0.00 0.00 7.07 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 48 E 8.23 4.28 0.00 1.98 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 2.30 2.28 0.00 49 G 6.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.69 0.00 1.97 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.69 7.81 51 L 8.75 4.06 0.00 1.56 1.63 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.26 4.09 0.00 3.38 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.15 0.00 1.86 2.01 0.00 1.85 0.00 0.00 1.93 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.52 7.81 54 H 8.29 4.49 0.00 3.48 3.58 0.00 5.73 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 55 I 7.67 3.41 2.02 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.43 0.85 0.00 0.00 56 K 7.48 4.11 0.00 1.82 1.77 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 57 H 7.84 4.31 0.00 3.27 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.92 4.19 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81