NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5550 8.0327 117.3999 63.0402 70.9639 175.0940 2 V 3.3944 7.9668 122.6577 65.4356 31.4071 176.0958 3 Q 3.9834 8.3187 119.0631 58.7462 29.4242 177.1551 4 W 4.1239 8.3465 129.1607 60.3142 30.6858 177.7643 5 L 3.9111 8.4927 118.9945 57.9844 40.9508 179.5843 6 L 4.1322 7.9002 117.4334 57.8840 41.5752 179.0408 7 D 4.4550 8.2681 118.0806 56.2658 41.0878 176.6413 8 N 4.5451 7.6204 114.8088 53.2072 40.9784 174.1380 9 Y 5.2286 8.1607 114.9946 56.4590 42.5691 174.2492 10 E 4.9195 8.7499 117.6210 55.0825 33.3173 174.7807 11 T 4.4479 8.4933 111.3185 62.3502 70.0015 172.9264 12 A 4.5327 8.5283 123.6095 51.6106 23.4763 174.8284 13 E 4.5200 8.6715 118.5687 55.9955 31.0456 177.4997 14 G 4.2644 8.9434 110.5251 46.0141 0.0000 173.1765 15 V 4.8832 7.4074 112.1089 59.4455 36.0849 174.5987 16 S 5.3364 8.6863 116.0193 56.9995 66.8251 172.8666 17 L 4.9624 8.7601 119.0330 52.1589 45.3271 175.0529 18 P 4.2399 0.0000 0.0000 62.3355 32.1968 177.8360 19 R 3.9869 8.7871 122.1264 59.2244 29.8176 179.7230 20 S 4.2052 8.0114 113.7533 61.9270 62.9967 176.4380 21 T 3.9422 7.9230 116.3891 64.3551 67.1233 175.9596 22 L 4.0907 7.8151 122.2766 58.3729 42.0614 178.3482 23 Y 3.6024 8.4306 119.7338 60.5857 38.8324 177.5163 24 N 4.2230 8.9163 117.9393 56.4847 38.6090 176.8621 25 H 4.3621 8.6371 119.7521 59.5346 29.9871 176.5698 26 Y 3.4635 8.2982 121.4036 60.6733 38.4508 178.2766 27 L 3.3660 7.6905 119.8484 57.3254 41.5964 179.5249 28 L 3.8544 7.6170 118.6904 57.8675 41.5151 178.8412 29 H 3.9077 7.9896 118.1594 59.2309 29.6300 177.4557 30 S 3.6031 7.4912 117.0326 61.3928 62.7250 176.4669 31 Q 3.7949 7.7859 122.1114 59.3230 28.5991 178.2075 32 E 3.9817 8.3923 118.4990 58.8112 29.4794 178.3414 33 Q 4.2852 7.7226 115.5340 54.2605 29.5610 175.6114 34 K 3.7690 7.5476 117.7763 57.8228 30.1511 175.2385 35 L 4.6771 7.9875 117.3083 52.5069 44.3524 176.7468 36 E 4.1669 8.5901 121.3314 54.7587 30.2013 174.8968 37 P 4.4081 0.0000 0.0000 62.5656 32.0630 176.5293 38 V 4.1673 8.8588 115.2081 60.4811 32.8026 176.0617 39 N 5.1188 8.6744 120.7935 51.5354 39.8394 175.7632 40 A 3.1604 8.1283 121.0396 54.7898 18.2276 179.6612 41 A 3.8825 7.8447 118.8344 55.5506 18.5998 179.8994 42 S 4.1008 8.7993 114.1552 61.6916 62.7634 176.7814 43 F 4.1590 8.7519 124.0198 61.0480 39.2114 177.4345 44 G 3.6230 8.2526 105.5670 47.5573 0.0000 175.8674 45 K 3.9446 7.6292 119.9013 59.0045 32.3684 178.9179 46 L 3.9426 7.7662 120.6548 58.2075 41.9711 178.9693 47 I 3.4661 7.3933 118.7024 63.7159 37.5957 177.6020 48 R 3.9920 7.4547 117.1903 57.7187 30.0981 177.9956 49 S 4.3041 7.6986 113.0167 59.2591 63.4778 174.8711 50 V 3.6594 7.1823 120.8328 63.7238 32.3556 175.3207 51 F 4.7853 7.7578 119.8193 55.7024 39.5461 175.4515 52 M 4.1482 8.5234 126.1831 56.2792 32.4671 177.0331 53 G 3.9228 8.8669 110.2252 45.4760 0.0000 173.4287 54 L 4.3170 7.7467 118.8418 54.8056 42.4111 176.6764 55 R 4.8468 8.9602 121.1595 54.9418 33.7579 174.7858 56 T 5.2067 8.5148 117.0850 62.3398 70.3729 174.3886 57 R 4.7502 8.8188 123.4216 54.4954 35.2535 174.6820 58 R 4.8065 8.3497 118.5682 54.7115 32.8084 174.7299 59 L 4.5613 9.9298 124.6201 52.8334 44.4096 176.1201 60 G 4.5823 8.4921 107.8604 43.0142 0.0000 173.0490 61 T 4.1879 7.9317 111.0048 60.3260 69.8026 174.1903 62 R 3.9612 8.3054 120.8091 58.2442 30.2605 177.6947 63 G 3.9969 9.0380 109.8293 45.7319 0.0000 173.2670 64 N 5.0759 8.1885 115.1406 52.7153 40.5326 174.8572 65 S 4.4373 8.1986 115.2518 58.8996 63.7125 173.9284 66 K 4.6891 8.8904 122.3800 54.4805 36.4295 175.5042 67 Y 4.6879 8.7016 121.3503 58.6684 39.3359 174.7235 68 H 5.2478 9.5469 119.8367 54.2235 33.2327 172.1473 69 Y 5.0095 8.7636 119.4856 57.2999 39.3321 173.9110 70 Y 4.7965 9.3786 127.3367 56.9577 40.8931 176.1413 71 G 4.4493 10.0835 116.2008 44.8661 0.0000 172.4455 72 L 5.0287 7.5275 118.9154 53.0911 45.4446 174.8644 73 R 4.8400 8.4866 119.3675 54.5723 33.4973 174.0920 74 I 3.8200 8.3222 120.7850 61.8414 37.2036 176.0514 75 K 4.1091 8.8766 129.2956 58.1960 32.4117 176.5442 76 A 4.2412 7.4372 125.7425 52.1363 19.2233 175.6496 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 T 8.03 4.56 4.57 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 1.41 0.00 0.00 2 V 7.97 3.39 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 0.92 0.00 0.00 0.92 0.00 0.00 3 Q 8.32 3.98 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 4 W 8.35 4.12 0.00 3.40 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 5 L 8.49 3.91 0.00 1.98 1.91 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.90 4.13 0.00 1.74 1.74 0.85 0.77 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 7 D 8.27 4.45 0.00 2.66 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 8 N 7.62 4.55 0.00 1.88 1.83 0.00 0.00 6.57 7.79 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 9 Y 8.16 5.23 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.75 4.92 0.00 2.02 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 2.14 2.22 0.00 11 T 8.49 4.45 4.21 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 1.30 0.00 0.00 12 A 8.53 4.53 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.67 4.52 0.00 2.02 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 2.27 2.24 0.00 14 G 8.94 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.41 4.88 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 0.78 0.00 0.00 1.01 0.00 0.00 16 S 8.69 5.34 0.00 4.14 4.03 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 0.00 0.00 0.00 0.00 17 L 8.76 4.96 0.00 1.68 1.62 1.07 1.33 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 18 P 0.00 4.24 0.00 2.14 1.85 0.00 3.62 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 2.10 1.97 0.00 19 R 8.79 3.99 0.00 1.71 1.83 0.00 2.72 0.00 0.00 2.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 20 S 8.01 4.21 0.00 4.11 4.17 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 21 T 7.92 3.94 4.30 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 1.33 0.00 0.00 22 L 7.82 4.09 0.00 1.87 2.04 0.44 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.43 3.60 0.00 3.02 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 24 N 8.92 4.22 0.00 3.05 2.88 0.00 0.00 6.64 8.77 0.00 0.00 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 H 8.64 4.36 0.00 3.55 3.86 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.30 3.46 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.69 3.37 0.00 1.60 1.42 0.70 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.62 3.85 0.00 1.90 1.70 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.99 3.91 0.00 2.71 2.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.49 3.60 0.00 3.44 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 3.79 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 32 E 8.39 3.98 0.00 1.93 1.95 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 0.00 2.31 2.36 0.00 33 Q 7.72 4.29 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 34 K 7.55 3.77 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 35 L 7.99 4.68 0.00 1.48 1.42 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.59 4.17 0.00 2.07 1.95 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 0.00 2.29 2.25 0.00 37 P 0.00 4.41 0.00 2.20 1.78 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 38 V 8.86 4.17 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 0.84 0.00 0.00 1.12 0.00 0.00 39 N 8.67 5.12 0.00 3.01 3.03 0.00 0.00 6.62 7.81 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 40 A 8.13 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.84 3.88 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 42 S 8.80 4.10 0.00 4.12 3.97 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 0.00 0.00 0.00 43 F 8.75 4.16 0.00 3.13 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 44 G 8.25 3.62 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 0.00 0.00 0.00 45 K 7.63 3.94 0.00 1.89 1.84 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.61 7.81 46 L 7.77 3.94 0.00 1.64 1.51 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.39 3.47 0.97 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.31 0.00 0.00 48 R 7.45 3.99 0.00 1.77 1.90 0.00 3.26 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 49 S 7.70 4.30 0.00 3.95 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 50 V 7.18 3.66 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.75 0.00 0.00 51 F 7.76 4.79 0.00 2.94 2.86 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 0.00 0.00 0.00 52 M 8.52 4.15 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 53 G 8.87 3.92 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 0.00 0.00 0.00 54 L 7.75 4.32 0.00 1.55 1.69 0.62 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.96 4.85 0.00 2.02 2.03 0.00 3.11 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 56 T 8.51 5.21 4.36 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 1.46 0.00 0.00 57 R 8.82 4.75 0.00 1.66 1.62 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 58 R 8.35 4.81 0.00 1.38 1.48 0.00 2.61 0.00 0.00 2.92 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 59 L 9.93 4.56 0.00 1.34 1.39 0.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.49 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 4.19 4.22 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 1.19 0.00 0.00 62 R 8.31 3.96 0.00 1.80 1.92 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 63 G 9.04 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 0.00 0.00 0.00 64 N 8.19 5.08 0.00 2.65 2.76 0.00 0.00 6.96 7.60 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 65 S 8.20 4.44 0.00 3.63 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.89 4.69 0.00 1.64 1.66 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.55 7.81 67 Y 8.70 4.69 0.00 2.89 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 68 H 9.55 5.25 0.00 2.99 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.76 5.01 0.00 2.95 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 70 Y 9.38 4.80 0.00 2.95 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 71 G 10.08 4.45 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 0.00 0.00 0.00 72 L 7.53 5.03 0.00 1.39 1.45 -0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.49 4.84 0.00 1.90 1.97 0.00 2.82 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 74 I 8.32 3.82 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.75 0.00 0.00 75 K 8.88 4.11 0.00 1.61 1.57 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.51 7.81 76 A 7.44 4.24 1.11 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 0.00 0.00