NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C E 4.2413 8.2985 121.4709 56.3480 31.7327 177.4701 1B A 3.8986 7.8785 122.9070 53.3751 19.0343 176.0698 1A D 4.6808 7.7802 114.4790 53.9290 42.8878 174.2119 1 C 4.1857 7.7379 113.7330 60.4403 29.8387 174.0103 2 G 3.8853 8.8822 108.9982 45.9191 0.0000 172.8698 3 L 4.6734 7.4045 118.3998 52.5679 43.7633 176.3082 4 R 4.4113 8.9740 123.7862 54.5453 30.9628 175.7297 5 P 4.2354 0.0000 0.0000 65.5341 31.3898 177.1010 6 L 4.2707 7.7896 114.2263 54.5571 42.3882 176.4079 7 F 4.6627 7.9652 115.1321 57.8479 41.5711 176.6667 8 E 4.0150 9.1981 123.2091 60.1456 30.1911 179.7235 9 K 4.1916 8.0727 115.5146 58.1392 32.3340 177.6539 10 K 4.4517 7.7825 116.3339 55.2079 32.6752 175.8069 11 S 3.7801 7.6339 113.1528 59.8396 60.9348 172.2018 12 L 4.8898 8.0278 117.6885 52.8763 44.2368 176.5323 13 K 4.9076 8.4489 120.0071 54.6056 34.5898 175.9883 14 D 4.7797 8.8668 122.4799 52.2622 40.5518 177.5606 14A T 3.7088 8.2764 109.2500 64.1002 69.1108 175.0765 14B T 4.6266 8.4084 110.5395 60.2671 70.3129 175.4122 14C E 3.9675 7.9563 122.6637 59.2560 29.4030 178.7596 14D K 3.8355 8.0252 120.6873 59.3633 31.9436 177.8971 14E E 3.8371 7.6855 118.4945 59.1948 29.9272 178.6029 14F L 3.8796 7.6531 118.2849 57.5710 41.8259 178.9400 14G L 3.4829 7.5423 120.0474 58.3253 41.8414 178.8264 14H D 4.4022 8.0025 117.5265 57.0400 40.7490 178.5616 14I S 4.4180 7.3023 113.1451 59.7710 63.9317 174.5482 14J Y 4.7020 7.2509 121.1312 56.8922 35.9662 174.5993 14K I 4.4316 7.8427 115.1850 60.2596 39.5976 176.2437 14L D 4.5183 7.9643 120.7895 54.2266 41.4449 176.3894 14M G 3.5719 8.7714 108.0690 45.4921 0.0000 173.8254 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 1C E 8.30 4.24 0.00 2.06 1.94 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 2.27 2.38 0.00 1B A 7.88 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.78 4.68 0.00 2.76 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 1 C 7.74 4.19 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 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 3 L 7.40 4.67 0.00 1.74 1.61 0.94 0.87 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 4 R 8.97 4.41 0.00 2.24 2.08 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 5 P 0.00 4.24 0.00 2.04 2.13 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 6 L 7.79 4.27 0.00 1.32 1.20 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.97 4.66 0.00 3.08 2.96 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 0.00 0.00 0.00 8 E 9.20 4.01 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 9 K 8.07 4.19 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.59 7.81 10 K 7.78 4.45 0.00 1.63 1.72 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.58 7.81 11 S 7.63 3.78 0.00 4.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.89 0.00 1.54 1.62 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.45 4.91 0.00 1.76 1.71 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.43 7.81 14 D 8.87 4.78 0.00 2.48 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A T 8.28 3.71 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 1.24 0.00 0.00 14B T 8.41 4.63 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 1.18 0.00 0.00 14C E 7.96 3.97 0.00 2.07 2.35 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 2.50 2.27 0.00 14D K 8.03 3.84 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.47 7.81 14E E 7.69 3.84 0.00 1.99 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 0.00 2.25 2.30 0.00 14F L 7.65 3.88 0.00 1.69 1.50 0.87 0.46 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 14G L 7.54 3.48 0.00 1.69 1.72 nan 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14H D 8.00 4.40 0.00 2.64 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 14I S 7.30 4.42 0.00 4.00 3.98 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 14J Y 7.25 4.70 0.00 3.08 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 14K I 7.84 4.43 1.89 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 1.64 0.70 0.96 0.00 0.00 14L D 7.96 4.52 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14M G 8.77 3.57 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 0.00 0.00 0.00