NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2957 8.4449 121.4697 55.9649 30.8381 174.5025 13 L 4.6018 8.2127 121.6129 51.8560 44.1758 170.9630 14 V 4.2224 8.2169 121.5055 60.7818 34.5030 174.4462 15 D 4.4687 8.6205 126.8151 53.0425 40.5619 174.4443 16 P 4.2991 0.0000 0.0000 66.6328 30.7487 176.5003 17 L 3.9493 8.7801 121.1642 57.5054 41.5338 178.3193 18 T 3.9987 7.7457 112.2750 65.5244 68.9777 176.3467 19 T 4.0196 7.7944 117.8103 66.7443 68.6414 176.6845 20 I 3.9256 8.0995 121.3597 63.7771 37.1757 178.8034 21 R 3.9786 8.3477 120.2204 59.5136 29.6367 178.1790 22 E 4.0206 8.0850 117.7631 59.1568 29.5303 178.3647 23 H 4.1276 8.0966 118.7046 59.8049 30.1750 177.5524 24 C 4.3297 8.0587 118.2057 59.9949 40.0659 175.6588 25 E 3.8196 7.7949 118.3528 58.4925 30.3670 178.1561 26 Q 4.5790 7.4398 119.2638 54.5838 27.8597 175.4804 27 T 4.6360 7.1743 114.8394 62.2835 73.3162 176.1765 28 E 3.7420 8.3447 127.2176 58.7415 29.5911 179.2536 29 K 4.0967 8.0671 118.0389 59.2269 32.2511 179.0398 30 C 4.4851 7.9575 116.7256 62.5530 28.1151 176.1587 31 V 3.7058 8.2950 120.4235 65.8279 31.0119 177.7759 32 K 4.2627 7.6497 113.7606 56.9751 31.8652 176.5928 33 A 4.6043 7.3784 121.6208 53.6769 20.9024 178.9819 34 R 3.5982 8.8276 116.0443 59.4125 29.8503 178.4069 35 E 3.9113 8.3026 119.1005 59.3369 29.5217 178.6751 36 R 3.9270 7.9456 116.2292 59.9576 30.3943 177.8295 37 L 3.9030 8.2645 120.0107 57.2643 41.8331 178.5419 38 E 3.8626 8.1660 117.8514 59.6857 29.6582 179.8050 39 L 3.9907 7.8379 118.5892 58.4599 41.7303 178.2754 40 C 4.2206 8.7399 118.8175 59.1195 41.7274 174.8942 41 D 4.2434 7.8584 118.3242 57.4638 41.1982 178.5158 42 A 4.0440 8.8011 122.2883 55.5325 18.3545 179.8820 43 R 3.8321 7.8029 113.6209 59.4461 29.4561 179.0082 44 V 3.5715 7.9826 118.4778 65.7282 31.5476 177.8828 45 S 4.2753 8.6079 114.5497 61.4638 62.7309 176.5296 46 S 4.2140 7.7578 115.6716 60.7281 63.1125 175.0534 47 R 4.0758 7.0544 121.7025 56.0136 30.4818 176.6244 48 S 4.7992 8.5223 112.8956 58.7393 65.1587 174.2297 49 H 4.9493 8.0468 117.0737 55.7162 29.6794 172.8763 50 T 4.6115 7.9176 112.2053 60.5326 69.3354 173.6186 51 E 4.2182 8.5711 125.1354 57.7503 30.3208 176.5298 52 E 4.0105 7.2712 119.1071 56.4861 30.3941 175.9603 53 Q 4.6191 8.0766 119.0833 55.2051 32.9128 175.1325 54 C 5.5364 8.3578 116.3332 56.8227 41.7712 176.3640 55 T 3.4404 7.6722 116.9905 66.9554 67.7856 175.3000 56 E 3.6964 7.8798 118.3899 59.5238 30.0085 178.8194 57 E 3.9434 8.1446 117.4904 59.6212 29.7945 179.1774 58 L 3.9529 7.8155 119.7499 58.3733 42.0117 178.9004 59 F 4.6326 8.0745 117.4607 61.0213 38.7904 177.0872 60 D 4.5047 8.5220 118.6553 58.2876 40.5710 178.6161 61 F 4.2582 8.4734 121.0027 60.5452 39.3285 176.6601 62 L 4.0875 8.6995 119.4713 57.6025 41.5469 179.1348 63 H 4.0090 9.1505 118.5275 59.3222 29.6421 177.0498 64 A 4.0125 7.6991 122.0999 55.5335 18.4223 178.8392 65 R 3.4888 8.3220 117.9706 60.0889 29.5123 177.9509 66 D 4.3529 8.7922 118.1281 57.7942 40.9063 178.2330 67 H 3.9833 7.8327 118.2086 59.6941 29.5167 175.7968 68 C 4.1185 7.9472 118.8570 60.0219 41.9789 175.3154 69 V 3.6933 8.0813 119.6361 66.2895 31.0153 177.5506 70 A 4.4083 8.4337 120.3906 55.7177 18.0885 178.9355 71 H 3.9921 7.7864 115.3297 58.6157 30.0302 175.7553 72 K 4.4579 7.8642 117.3977 57.4832 34.9758 178.0567 73 L 3.8668 8.9908 121.2950 58.4803 40.4524 178.8848 74 F 4.1249 8.3002 116.0081 59.3981 38.8402 177.2034 75 N 4.6278 8.5399 116.4109 55.7061 38.3191 177.0362 76 K 4.1435 7.4109 118.0834 58.0633 32.8251 177.9296 77 L 4.0425 6.4879 115.5565 54.5985 42.2057 177.1213 78 K 4.1436 8.3961 121.1080 56.6632 32.1575 176.3327 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 12 E 8.44 4.30 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 13 L 8.21 4.60 0.00 1.71 1.52 0.91 0.51 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 14 V 8.22 4.22 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 0.80 0.00 0.00 0.93 0.00 0.00 15 D 8.62 4.47 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.30 0.00 2.24 2.31 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 17 L 8.78 3.95 0.00 1.73 1.81 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.75 4.00 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 1.22 0.00 0.00 19 T 7.79 4.02 4.40 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 1.21 0.00 0.00 20 I 8.10 3.93 1.88 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 1.53 1.11 0.96 0.00 0.00 21 R 8.35 3.98 0.00 1.93 2.01 0.00 3.33 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 1.75 1.83 0.00 22 E 8.08 4.02 0.00 2.18 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 2.38 2.66 0.00 23 H 8.10 4.13 0.00 3.11 3.40 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.06 4.33 0.00 3.08 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 25 E 7.79 3.82 0.00 2.21 2.22 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 2.81 2.73 0.00 26 Q 7.44 4.58 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 27 T 7.17 4.64 4.35 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 0.00 0.00 1.18 0.00 0.00 28 E 8.34 3.74 0.00 2.01 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 2.37 2.40 0.00 29 K 8.07 4.10 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 30 C 7.96 4.49 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.71 2.11 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 1.06 0.00 0.00 1.05 0.00 0.00 32 K 7.65 4.26 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.63 7.81 33 A 7.38 4.60 1.57 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 34 R 8.83 3.60 0.00 1.83 2.16 0.00 3.13 0.00 0.00 2.76 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 35 E 8.30 3.91 0.00 2.27 1.92 0.00 0.00 0.00 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 2.34 0.00 36 R 7.95 3.93 0.00 1.94 2.00 0.00 3.37 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 1.65 1.83 0.00 37 L 8.26 3.90 0.00 1.68 1.62 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.17 3.86 0.00 1.96 1.98 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 2.26 2.46 0.00 39 L 7.84 3.99 0.00 1.90 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.74 4.22 0.00 2.91 3.15 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 41 D 7.86 4.24 0.00 2.77 2.79 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 42 A 8.80 4.04 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 43 R 7.80 3.83 0.00 2.01 2.19 0.00 2.78 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.62 0.00 44 V 7.98 3.57 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 0.83 0.00 0.00 0.99 0.00 0.00 45 S 8.61 4.28 0.00 4.03 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 46 S 7.76 4.21 0.00 4.05 4.06 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 0.00 0.00 0.00 47 R 7.05 4.08 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 48 S 8.52 4.80 0.00 3.83 3.94 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 49 H 8.05 4.95 0.00 3.02 3.25 0.00 5.87 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.92 4.61 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 1.21 0.00 0.00 51 E 8.57 4.22 0.00 1.97 1.98 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 2.27 2.34 0.00 52 E 7.27 4.01 0.00 1.86 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 2.32 2.31 0.00 53 Q 8.08 4.62 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.31 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 54 C 8.36 5.54 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.67 3.44 4.08 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 0.00 0.00 0.00 0.64 0.00 0.00 56 E 7.88 3.70 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 57 E 8.14 3.94 0.00 2.20 2.02 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 2.40 2.47 0.00 58 L 7.82 3.95 0.00 1.72 1.68 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.07 4.63 0.00 3.33 2.99 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 0.00 0.00 0.00 60 D 8.52 4.50 0.00 2.97 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 61 F 8.47 4.26 0.00 3.17 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 4.09 0.00 1.92 1.94 1.20 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.15 4.01 0.00 3.20 3.56 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.70 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.32 3.49 0.00 0.81 1.67 0.00 3.16 0.00 0.00 3.14 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 66 D 8.79 4.35 0.00 2.78 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 67 H 7.83 3.98 0.00 3.27 3.47 0.00 5.61 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 68 C 7.95 4.12 0.00 3.01 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.08 3.69 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 0.96 0.00 0.00 0.97 0.00 0.00 70 A 8.43 4.41 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 71 H 7.79 3.99 0.00 3.10 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.86 4.46 0.00 1.87 1.80 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.41 7.81 73 L 8.99 3.87 0.00 1.70 1.84 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.30 4.12 0.00 3.09 3.09 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 0.00 0.00 0.00 75 N 8.54 4.63 0.00 2.73 2.90 0.00 0.00 6.99 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.41 4.14 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.59 7.81 77 L 6.49 4.04 0.00 1.31 1.42 0.27 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.40 4.14 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81