NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2095 8.1701 115.2427 61.3392 68.5311 173.4886 3 A 3.9542 8.4515 130.2279 51.9927 18.9357 175.6869 4 L 4.3044 8.5515 122.3958 53.5691 43.6974 175.6381 5 A 4.1112 8.2616 125.3225 51.5226 19.0241 177.1489 6 K 4.0067 8.3984 121.4596 55.7430 32.2248 175.3216 7 P 4.6417 0.0000 0.0000 61.2917 32.7209 175.7290 8 Q 4.0890 8.4479 117.7898 56.8832 28.8406 176.7815 9 M 4.7329 8.5802 119.1728 54.5250 33.8370 175.6295 10 R 4.5680 7.7144 117.9769 55.2372 32.9597 175.9819 11 G 4.1008 8.7638 108.4172 46.8414 0.0000 175.7667 12 L 3.9365 7.3686 123.2168 57.4275 41.4403 179.0902 13 L 3.9591 7.8337 119.5504 58.0314 42.1282 178.6729 14 A 4.0067 7.9144 120.3526 54.8489 18.3629 179.4275 15 R 3.8154 8.2228 117.4699 59.6704 30.2680 178.5242 16 R 3.9636 8.1311 118.5796 59.4570 29.9406 178.0499 17 L 3.9427 8.1804 119.9310 58.4286 42.0270 178.3361 18 R 3.8402 8.3692 118.7287 59.6293 29.7636 177.6920 19 F 4.0528 8.3209 119.8708 62.0843 39.4045 177.2484 20 H 4.3104 8.4040 114.7314 57.9195 28.5866 177.9145 21 I 3.6737 7.9440 122.2677 64.1825 36.9350 178.1902 22 V 3.6243 7.4716 119.3145 66.0942 31.1906 178.1766 23 G 3.5401 7.5828 104.8036 47.7309 0.0000 175.0597 24 A 4.0022 8.6089 124.2827 54.9613 18.2736 179.3562 25 F 4.1147 8.4925 119.0283 61.9965 39.4528 177.3099 26 M 3.9636 8.3108 118.1702 58.1005 31.6171 178.8005 27 V 3.5353 8.0591 118.7290 66.1932 31.4678 177.8523 28 S 4.1758 7.7635 114.2306 62.0454 62.8915 176.9904 29 L 3.8729 7.8293 121.3908 57.7384 41.2717 179.8318 30 G 3.6783 8.1722 105.4516 47.0552 0.0000 175.7946 31 F 4.0821 9.0691 123.3796 60.8981 39.4366 176.9011 32 A 4.1296 9.2521 121.5829 56.0022 16.6477 179.4473 33 T 3.7962 7.7523 113.4515 67.0273 68.4525 176.4300 34 F 4.1322 7.5430 121.4702 61.4013 39.6391 176.6763 35 Y 3.4038 7.8171 119.4830 60.4908 38.5795 178.1115 36 K 4.1182 8.4339 118.6857 58.0303 31.6168 177.7923 37 F 4.3615 7.1143 119.0687 59.7420 40.5861 176.8266 38 A 3.5933 7.9602 117.5534 53.1481 18.5228 177.1439 39 V 3.7944 6.7508 114.4349 63.6644 33.8357 177.2947 40 A 3.8669 7.5086 120.5298 55.3293 18.3205 179.5212 41 E 3.8694 7.8013 116.5767 59.2628 29.4982 179.3400 42 K 3.6846 7.2465 120.0693 59.5111 32.1075 178.7876 43 R 3.9393 7.9602 118.7081 59.5045 30.0981 178.7013 44 K 4.0654 7.8953 117.8437 59.2427 31.9002 179.3431 45 K 3.9712 8.1864 119.8422 59.1177 32.1341 178.5296 46 A 3.9698 8.0717 121.1614 55.5717 18.2752 179.2219 47 Y 3.6519 8.2341 114.5973 61.0207 37.8580 178.7115 48 A 4.1436 8.2965 121.5348 55.5067 18.3601 179.2909 49 D 4.3470 8.5136 116.4068 57.4711 40.9533 178.6753 50 F 4.0229 8.0743 119.9766 61.5221 39.8609 176.4535 51 Y 4.4294 8.2631 114.9382 59.3939 37.6025 177.6277 52 R 4.0447 7.5771 120.0914 58.8382 30.2867 177.5581 53 N 5.0389 7.7487 113.5054 52.7799 39.6268 173.9306 54 Y 3.9912 7.8166 119.4040 57.4832 39.5383 175.2522 55 D 4.5081 7.7536 125.5482 52.0000 43.0745 176.4643 56 S 3.6907 7.9186 123.5973 61.3843 63.0861 176.1559 57 M 4.1318 7.9453 122.0083 58.0389 31.9066 178.3695 58 K 3.9277 8.3469 119.9374 59.3409 32.3102 178.4648 59 D 4.3336 8.0653 118.3856 57.3237 41.1790 177.7245 60 F 4.3786 8.5987 121.5497 61.5391 39.2924 176.7191 61 E 3.5189 8.5432 118.8348 59.1850 29.4755 178.4846 62 E 3.8971 7.9951 118.2738 59.8298 29.6349 179.3694 63 M 3.9170 8.1599 118.5852 58.1635 31.9389 178.7808 64 R 3.9556 8.4169 119.2925 59.5354 30.0340 178.8194 65 K 3.9176 8.3226 116.8269 59.1852 32.0789 178.7249 66 A 4.1626 7.6911 119.6441 52.8029 18.2969 177.9937 67 G 3.7850 7.9170 105.5428 46.0757 0.0000 174.8546 68 I 3.8336 7.1107 113.7688 61.5643 38.2130 175.9547 69 F 5.0261 7.4801 119.4098 56.3693 40.2457 175.9046 70 Q 4.2223 8.9556 123.2180 58.4231 28.8114 177.2812 71 S 4.5203 8.1386 109.2634 58.1600 63.8676 173.8455 72 A 4.5364 7.8578 124.2847 51.2383 21.0532 176.1337 73 K 4.2610 8.7691 121.4073 56.9442 32.4505 176.5548 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 2 T 8.17 4.21 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 1.21 0.00 0.00 3 A 8.45 3.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.55 4.30 0.00 1.64 1.60 0.92 0.79 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 5 A 8.26 4.11 1.23 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 6 K 8.40 4.01 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.64 0.00 2.20 2.03 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 Q 8.45 4.09 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 9 M 8.58 4.73 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 10 R 7.71 4.57 0.00 1.83 1.79 0.00 3.24 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.76 4.10 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 0.00 0.00 0.00 12 L 7.37 3.94 0.00 1.89 1.73 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.83 3.96 0.00 1.76 1.66 0.93 0.99 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 14 A 7.91 4.01 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 15 R 8.22 3.82 0.00 2.03 2.08 0.00 3.23 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 R 8.13 3.96 0.00 2.02 2.15 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 17 L 8.18 3.94 0.00 1.92 1.90 0.95 0.73 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 18 R 8.37 3.84 0.00 2.14 2.08 0.00 3.20 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 19 F 8.32 4.05 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.40 4.31 0.00 3.37 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.94 3.67 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.97 0.91 0.00 0.00 22 V 7.47 3.62 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 0.94 0.00 0.00 0.89 0.00 0.00 23 G 7.58 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.11 0.00 3.09 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 26 M 8.31 3.96 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.96 0.00 27 V 8.06 3.54 2.20 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 28 S 7.76 4.18 0.00 3.99 3.84 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 29 L 7.83 3.87 0.00 1.39 1.57 0.26 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.17 3.68 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 0.00 0.00 0.00 31 F 9.07 4.08 0.00 3.16 3.31 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 0.00 32 A 9.25 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.80 4.44 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 1.17 0.00 0.00 34 F 7.54 4.13 0.00 3.11 2.85 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 0.00 0.00 0.00 35 Y 7.82 3.40 0.00 2.62 2.85 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 0.00 0.00 0.00 36 K 8.43 4.12 0.00 2.07 1.87 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.52 7.81 37 F 7.11 4.36 0.00 3.02 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 38 A 7.96 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 6.75 3.79 0.98 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 0.77 0.00 0.00 0.44 0.00 0.00 40 A 7.51 3.87 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 41 E 7.80 3.87 0.00 1.89 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 2.52 2.45 0.00 42 K 7.25 3.68 0.00 1.64 1.77 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.28 7.81 43 R 7.96 3.94 0.00 2.05 2.05 0.00 3.09 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 44 K 7.90 4.07 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 45 K 8.19 3.97 0.00 1.82 1.81 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.63 7.81 46 A 8.07 3.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 3.65 0.00 3.23 3.25 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 48 A 8.30 4.14 1.42 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 0.00 0.00 49 D 8.51 4.35 0.00 2.67 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 50 F 8.07 4.02 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 4.43 0.00 3.41 3.08 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 0.00 52 R 7.58 4.04 0.00 1.96 1.99 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 53 N 7.75 5.04 0.00 2.68 2.74 0.00 0.00 6.84 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.82 3.99 0.00 2.77 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 55 D 7.75 4.51 0.00 2.57 2.32 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 56 S 7.92 3.69 0.00 4.16 4.10 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 57 M 7.95 4.13 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 58 K 8.35 3.93 0.00 1.95 1.88 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 D 8.07 4.33 0.00 2.94 2.92 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 0.00 0.00 0.00 60 F 8.60 4.38 0.00 3.15 3.35 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 0.00 61 E 8.54 3.52 0.00 2.36 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 2.33 2.36 0.00 62 E 8.00 3.90 0.00 2.25 1.97 0.00 0.00 0.00 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 2.48 0.00 63 M 8.16 3.92 0.00 1.66 2.40 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.49 0.00 64 R 8.42 3.96 0.00 1.08 1.70 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 65 K 8.32 3.92 0.00 1.75 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 66 A 7.69 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 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 68 I 7.11 3.83 1.57 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.36 0.71 0.00 0.00 69 F 7.48 5.03 0.00 3.46 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 70 Q 8.96 4.22 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 71 S 8.14 4.52 0.00 3.96 3.99 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 72 A 7.86 4.54 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 73 K 8.77 4.26 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.38 7.81