NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3581 8.3044 118.1918 54.9832 32.6675 173.1954 2 V 4.1443 8.1075 118.4544 61.3104 34.0369 174.1099 3 K 5.0188 8.9071 127.3777 54.6228 35.4724 175.2449 4 V 4.3222 8.7396 123.0384 61.0557 33.8455 174.1504 5 K 5.0789 8.6773 129.2507 55.1254 33.6020 175.0774 6 F 5.0737 9.1864 121.4147 55.9384 42.0026 172.7316 7 K 4.7973 8.7287 119.3896 53.9083 33.9823 174.8913 8 Y 4.4935 8.3735 126.6782 57.1671 41.4995 175.1207 9 K 3.5521 9.5110 129.4238 57.4931 29.5691 174.7544 10 G 4.1522 8.0364 115.0944 45.3745 0.0000 172.4066 11 E 3.8202 7.9201 126.6224 55.7326 28.9444 175.2202 12 E 4.4755 8.3417 126.7388 56.0069 29.5894 175.7137 13 K 4.3282 8.1071 126.4929 55.1617 34.6277 176.0368 14 E 5.6797 8.0693 118.9717 54.8683 30.1197 174.1002 15 V 3.9759 8.2090 127.7577 62.4118 33.7451 174.2743 16 D 4.7234 8.6131 127.0070 54.2052 41.7156 177.0438 17 T 3.2506 8.9371 118.3675 64.4741 68.6849 176.1986 18 S 4.2301 8.4469 116.0243 60.1563 63.2584 174.9323 19 K 4.3867 8.6993 120.8960 56.4766 32.5807 176.4139 20 I 4.3703 7.4498 121.3135 61.4877 37.5814 175.4443 21 K 4.4425 9.2507 125.4267 57.8741 32.9895 176.8000 22 K 4.8932 8.2505 120.0447 54.6793 35.9440 174.6725 23 V 5.2319 8.5271 124.0720 61.3569 34.9681 173.9425 24 W 5.1413 8.7330 122.4795 55.7520 31.9331 172.8159 25 R 4.8869 8.7341 121.1036 55.0552 31.1604 175.7687 26 V 4.3960 8.5378 125.4386 61.6863 34.2634 175.1851 27 G 3.8241 8.3871 118.5761 47.3496 0.0000 173.6177 28 K 4.3225 8.6697 124.1135 55.9503 32.3420 175.2847 29 A 4.9612 8.0481 122.1384 50.4437 22.1036 176.4655 30 V 4.4731 8.8314 119.6901 61.3403 33.4853 174.8179 31 S 4.6855 8.4240 123.0907 56.6057 65.4257 172.2701 32 F 4.8738 7.2120 117.8275 56.2927 41.5268 172.5663 33 T 5.3672 8.9034 109.3947 60.4535 72.0513 172.4004 34 Y 5.3556 8.4149 119.1742 55.7233 42.0588 173.3158 35 D 4.5482 9.2195 121.7034 54.2500 41.8260 176.3125 36 D 4.8103 9.2797 128.0586 53.8002 40.6845 174.9069 37 N 4.2502 9.4713 124.4273 54.1621 37.7901 172.6295 38 G 4.1536 8.9601 106.6511 45.7702 0.0000 173.9918 39 K 4.2696 7.9212 118.4126 55.5686 33.4283 175.4028 40 T 4.6222 8.1257 116.8500 62.1258 69.5849 175.2776 41 G 3.2334 8.1066 114.7668 45.0952 0.0000 172.0444 42 R 4.9879 7.7490 118.1122 54.2873 33.6366 175.1338 43 G 3.3313 7.8206 108.0885 45.2411 0.0000 171.4594 44 A 4.7543 7.7276 119.9672 50.6650 22.1821 175.9999 45 V 4.7474 8.9815 113.5505 59.2097 36.7114 175.7096 46 S 4.5736 8.5486 116.3506 57.9596 64.0282 175.1959 47 E 4.0133 8.3451 121.1827 59.4731 28.8879 179.9423 48 K 4.0880 7.7023 117.5522 59.2703 32.7666 178.0292 49 D 4.6813 7.8166 117.7463 53.3215 41.4377 176.0249 50 A 4.3245 7.3640 124.2208 50.2473 19.6176 175.8223 51 P 4.4166 0.0000 0.0000 62.0656 32.4076 177.1272 52 K 3.7642 8.7921 120.8772 60.0302 31.8340 178.3875 53 E 3.8731 8.1657 118.8092 59.3930 29.4170 178.5446 54 L 3.8684 7.8922 120.2026 57.9843 42.0420 178.9232 55 L 4.0328 7.7021 118.5906 57.6798 41.5288 178.9404 56 D 4.3422 8.9146 120.0611 57.7262 40.7408 178.7718 57 M 4.0349 8.1553 119.1537 58.2174 31.9200 178.5830 58 L 3.9593 8.3053 120.7675 58.1249 42.0498 178.9504 59 A 4.0808 8.0383 120.0834 55.0259 18.7194 179.2028 60 R 3.9639 8.3293 117.3369 59.6035 30.1563 178.6897 61 A 4.2210 8.1820 120.6529 55.1596 18.1932 179.2655 62 E 4.1315 8.5455 116.0620 58.5149 29.6583 178.5980 63 R 4.3175 7.4808 116.0785 55.4709 31.0042 176.5873 64 E 4.0843 7.5236 119.2649 56.4807 30.0748 176.4374 65 K 4.4914 8.0190 121.4420 55.1243 34.8514 176.2369 66 K 5.1658 7.6814 122.0902 55.6745 32.7486 174.6846 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 M 8.30 4.36 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 V 8.11 4.14 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 0.91 0.00 0.00 0.90 0.00 0.00 3 K 8.91 5.02 0.00 1.63 1.66 0.00 2.00 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.37 7.81 4 V 8.74 4.32 1.85 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 0.91 0.00 0.00 0.59 0.00 0.00 5 K 8.68 5.08 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 F 9.19 5.07 0.00 3.18 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 7 K 8.73 4.80 0.00 2.02 1.78 0.00 1.57 0.00 0.00 2.30 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.35 7.81 8 Y 8.37 4.49 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 9.51 3.55 0.00 1.83 1.72 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 0.80 7.81 10 G 8.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 3.82 0.00 2.16 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 2.78 2.37 0.00 12 E 8.34 4.48 0.00 2.07 1.84 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 2.33 2.31 0.00 13 K 8.11 4.33 0.00 0.79 1.36 0.00 1.98 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.29 7.81 14 E 8.07 5.68 0.00 1.89 1.85 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 2.12 2.11 0.00 15 V 8.21 3.98 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 0.79 0.00 0.00 0.70 0.00 0.00 16 D 8.61 4.72 0.00 2.71 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 17 T 8.94 3.25 4.13 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 1.13 0.00 0.00 18 S 8.45 4.23 0.00 3.99 4.04 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 19 K 8.70 4.39 0.00 1.96 2.02 0.00 1.99 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.61 7.81 20 I 7.45 4.37 1.92 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 1.04 0.26 0.90 0.00 0.00 21 K 9.25 4.44 0.00 1.68 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 22 K 8.25 4.89 0.00 1.92 1.97 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.47 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.49 7.81 23 V 8.53 5.23 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 0.91 0.00 0.00 0.93 0.00 0.00 24 W 8.73 5.14 0.00 3.38 3.21 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 25 R 8.73 4.89 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 26 V 8.54 4.40 2.19 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 1.12 0.00 0.00 0.98 0.00 0.00 27 G 8.39 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 28 K 8.67 4.32 0.00 1.83 1.83 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.43 7.81 29 A 8.05 4.96 1.24 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 0.00 0.00 30 V 8.83 4.47 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 0.90 0.00 0.00 0.91 0.00 0.00 31 S 8.42 4.69 0.00 3.22 2.63 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 32 F 7.21 4.87 0.00 3.05 2.82 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 33 T 8.90 5.37 4.31 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 1.47 0.00 0.00 34 Y 8.41 5.36 0.00 3.17 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 35 D 9.22 4.55 0.00 2.70 2.71 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 36 D 9.28 4.81 0.00 2.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.47 4.25 0.00 2.84 2.81 0.00 0.00 7.59 7.98 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 38 G 8.96 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.27 0.00 1.97 1.69 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 40 T 8.13 4.62 4.18 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 0.00 0.00 1.16 0.00 0.00 41 G 8.11 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 0.00 0.00 0.00 42 R 7.75 4.99 0.00 1.04 1.50 0.00 3.32 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 43 G 7.82 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 0.00 0.00 0.00 44 A 7.73 4.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.98 4.75 2.15 0.00 0.00 0.00 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 1.03 0.00 0.00 46 S 8.55 4.57 0.00 4.01 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 47 E 8.35 4.01 0.00 2.15 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 2.28 2.64 0.00 48 K 7.70 4.09 0.00 1.91 1.95 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 49 D 7.82 4.68 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.32 1.25 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 0.00 0.00 0.00 51 P 0.00 4.42 0.00 2.18 2.15 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 52 K 8.79 3.76 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.76 1.51 7.81 53 E 8.17 3.87 0.00 2.07 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 2.32 2.37 0.00 54 L 7.89 3.87 0.00 1.62 1.66 0.60 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.70 4.03 0.00 1.87 1.68 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.91 4.34 0.00 2.74 2.70 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 0.00 0.00 0.00 0.00 57 M 8.16 4.03 0.00 2.04 2.23 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 2.81 2.52 0.00 58 L 8.31 3.96 0.00 1.76 1.86 1.00 0.98 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 59 A 8.04 4.08 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 60 R 8.33 3.96 0.00 2.00 2.16 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 61 A 8.18 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.55 4.13 0.00 2.08 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 2.60 2.53 0.00 63 R 7.48 4.32 0.00 1.95 1.97 0.00 3.18 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 64 E 7.52 4.08 0.00 2.01 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 2.36 2.53 0.00 65 K 8.02 4.49 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 66 K 7.68 5.17 0.00 1.75 1.80 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.42 7.81