NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.2700 8.1801 120.7584 54.1047 42.7105 178.4318 22 A 4.0240 8.0688 123.7974 54.1541 18.7639 178.7678 23 S 4.4607 8.1115 108.9029 59.4252 64.5848 174.2909 24 F 4.1357 8.1810 125.1187 61.5640 39.2659 176.6777 25 L 4.1309 8.1324 117.9148 57.3609 41.4104 179.5456 26 K 4.0253 7.7724 119.1421 59.4022 32.0123 179.0283 27 D 4.2769 7.9481 118.6912 57.2161 40.8264 178.1772 28 F 3.9454 7.8675 121.1084 61.6983 39.1995 177.0528 29 D 4.3538 8.3603 118.1741 57.0198 40.4175 178.8475 30 R 3.7699 7.8532 119.4440 59.5382 30.2440 178.3132 31 E 3.8113 8.1441 119.0105 58.8876 29.5596 178.8879 32 V 3.3455 7.4463 118.5969 65.9512 31.5428 177.9354 33 E 3.9408 7.7719 118.1150 59.4252 29.4080 179.3819 34 I 3.7402 8.0032 120.0712 64.0899 37.0603 178.5244 35 R 3.8736 7.8104 119.9188 59.3225 29.9014 178.5800 36 I 3.7020 7.6780 119.6594 64.2731 37.0533 178.4713 37 K 3.9392 8.0773 119.3639 59.4877 31.8690 179.1473 38 Q 3.9294 7.9337 119.5951 59.2178 29.0464 178.1998 39 I 3.7015 7.8198 120.8194 64.6234 37.1537 178.2915 40 E 4.0414 8.0974 119.1137 59.1889 29.2578 179.4795 41 S 4.1698 8.3031 114.5663 61.4308 63.1530 176.2638 42 D 4.3207 8.1935 122.5657 57.0092 40.4198 178.6517 43 R 3.8358 7.9399 119.0484 59.6470 30.1393 178.3646 44 Q 3.9937 8.1414 117.7083 59.3834 28.7472 179.1305 45 N 4.3483 8.4298 117.3106 56.2498 38.4866 177.5221 46 L 4.0721 7.9852 120.5316 57.6560 41.7416 179.4767 47 L 4.0388 8.3418 119.5084 57.4329 41.5339 179.4149 48 K 3.9750 8.3018 119.9249 59.5771 32.2956 178.8267 49 E 4.0732 8.1202 118.2732 58.9039 29.2449 179.6285 50 V 3.7231 7.6696 118.4178 66.0430 31.5729 177.6484 51 D 4.3968 7.9023 118.1552 57.5048 40.6873 178.4318 52 N 4.3057 8.2014 116.7633 56.4094 38.4832 177.1315 53 L 3.9184 7.8441 121.0579 58.5892 42.3365 178.6743 54 Y 3.9404 8.4363 116.5796 60.6132 37.6882 177.8783 55 N 4.3399 8.5483 117.8871 56.5124 38.8706 177.1373 56 I 3.6790 7.6728 121.0701 64.8367 37.0354 178.2386 57 E 4.0647 7.7833 117.5745 58.6154 29.4468 178.4881 58 I 3.9978 7.5953 118.4875 63.2670 37.9243 177.6897 59 L 4.0537 8.0537 119.8088 57.6060 41.5112 178.2996 60 R 4.1938 7.6802 114.0705 56.5428 29.9073 175.9469 61 L 4.6749 7.3000 119.2876 52.0428 43.4947 175.4725 62 P 4.4724 0.0000 0.0000 61.9198 33.4021 177.2129 63 K 3.8693 8.7525 120.5848 59.7306 31.7112 179.0874 64 A 4.0240 7.8629 119.9512 55.0605 18.7217 179.1471 65 L 4.2097 7.8733 117.0669 58.0719 41.6579 179.6379 66 R 3.9423 7.9366 116.8142 58.8955 30.0398 178.0299 67 E 4.3747 7.7786 115.7998 56.0905 30.3082 176.2393 68 M 4.2042 7.4530 119.9348 54.6643 33.1049 175.6992 69 N 4.2876 9.0213 123.0661 54.1897 40.3974 175.5353 70 W 4.4620 9.2222 124.9231 59.8709 28.2322 178.5281 71 L 3.5229 7.2438 119.2755 57.1712 40.8232 178.8967 72 D 4.3089 7.9362 117.6691 57.4646 40.9411 177.4027 73 Y 4.2346 8.2311 119.0510 61.0834 38.8442 178.0721 74 F 4.1815 8.3807 119.3598 59.9244 39.9754 175.3419 75 A 4.2730 7.5607 120.1156 50.5522 17.8328 177.1892 76 L 3.8882 7.9983 121.3448 55.6376 41.6935 177.6841 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 21 L 8.18 4.27 0.00 1.68 1.62 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.07 4.02 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 23 S 8.11 4.46 0.00 4.10 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 24 F 8.18 4.14 0.00 3.17 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 25 L 8.13 4.13 0.00 1.85 1.77 1.06 1.00 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 26 K 7.77 4.03 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 27 D 7.95 4.28 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.87 3.95 0.00 2.80 3.13 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 0.00 29 D 8.36 4.35 0.00 3.05 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 30 R 7.85 3.77 0.00 1.95 2.00 0.00 3.07 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 31 E 8.14 3.81 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 32 V 7.45 3.35 2.01 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 0.85 0.00 0.00 0.21 0.00 0.00 33 E 7.77 3.94 0.00 2.10 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 2.29 2.55 0.00 34 I 8.00 3.74 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 0.88 0.00 0.00 35 R 7.81 3.87 0.00 1.95 2.04 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 36 I 7.68 3.70 1.97 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 1.72 1.12 0.89 0.00 0.00 37 K 8.08 3.94 0.00 1.95 1.84 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 38 Q 7.93 3.93 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 39 I 7.82 3.70 2.00 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 1.51 0.89 0.90 0.00 0.00 40 E 8.10 4.04 0.00 2.10 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 2.49 2.44 0.00 41 S 8.30 4.17 0.00 4.04 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 42 D 8.19 4.32 0.00 2.88 2.75 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 0.00 0.00 0.00 0.00 43 R 7.94 3.84 0.00 1.90 2.12 0.00 3.11 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 44 Q 8.14 3.99 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 45 N 8.43 4.35 0.00 2.94 2.86 0.00 0.00 7.05 6.52 0.00 0.00 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 L 7.99 4.07 0.00 1.86 1.71 0.92 0.41 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 47 L 8.34 4.04 0.00 1.80 1.69 0.90 0.43 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 48 K 8.30 3.98 0.00 2.02 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 49 E 8.12 4.07 0.00 2.21 2.01 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 2.34 2.50 0.00 50 V 7.67 3.72 2.23 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 0.94 0.00 0.00 1.05 0.00 0.00 51 D 7.90 4.40 0.00 2.91 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 52 N 8.20 4.31 0.00 2.77 2.89 0.00 0.00 6.72 6.01 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 53 L 7.84 3.92 0.00 1.95 1.88 0.86 0.78 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 54 Y 8.44 3.94 0.00 3.19 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 55 N 8.55 4.34 0.00 3.01 2.88 0.00 0.00 6.90 8.01 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 56 I 7.67 3.68 1.99 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 1.74 1.39 0.90 0.00 0.00 57 E 7.78 4.06 0.00 1.77 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 2.40 2.26 0.00 58 I 7.60 4.00 1.90 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 1.52 1.37 1.00 0.00 0.00 59 L 8.05 4.05 0.00 1.81 1.72 0.93 1.05 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 60 R 7.68 4.19 0.00 1.84 1.97 0.00 3.10 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 61 L 7.30 4.67 0.00 1.75 1.55 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.47 0.00 2.18 1.98 0.00 3.65 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 2.14 2.15 0.00 63 K 8.75 3.87 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.53 7.81 64 A 7.86 4.02 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 65 L 7.87 4.21 0.00 1.87 1.80 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.94 3.94 0.00 1.92 2.00 0.00 3.23 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 67 E 7.78 4.37 0.00 2.00 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 2.31 2.49 0.00 68 M 7.45 4.20 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 69 N 9.02 4.29 0.00 2.93 2.92 0.00 0.00 6.96 7.95 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 70 W 9.22 4.46 0.00 3.74 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 71 L 7.24 3.52 0.00 1.39 1.43 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.94 4.31 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.23 4.23 0.00 3.09 3.39 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 74 F 8.38 4.18 0.00 3.26 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 75 A 7.56 4.27 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 76 L 8.00 3.89 0.00 1.48 1.43 0.69 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00