NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0788 8.2549 120.8391 55.0610 31.1146 175.2298 2 P 4.0279 0.0000 0.0000 62.3435 32.1315 176.4932 3 D 4.3896 8.5278 123.8439 58.5072 40.6634 179.0018 4 F 4.7659 8.0256 114.8873 59.6862 37.6168 177.5989 5 C 4.6824 7.3062 115.5234 58.6308 40.0190 174.4963 6 L 4.3921 7.6769 119.3832 53.9514 42.1347 176.6279 7 E 4.2473 7.5103 119.1411 55.5341 30.1205 175.0651 8 P 4.5528 0.0000 0.0000 60.9373 32.3672 174.6702 9 P 3.5212 0.0000 0.0000 62.7866 31.2849 175.2422 10 Y 4.6520 7.8274 122.7685 55.9853 39.8214 175.2136 11 T 4.1590 8.2798 125.4070 65.5193 68.8290 176.2785 12 G 3.7397 6.8271 104.1161 44.2144 0.0000 171.3157 13 P 4.3630 0.0000 0.0000 64.0683 32.1617 177.5737 14 C 4.4813 7.7921 119.6617 56.9854 40.9235 175.2658 15 K 3.8016 8.3615 122.6729 56.8991 31.8455 178.4940 16 A 4.1790 7.6122 118.7384 52.4860 19.5921 177.1000 17 R 4.7755 7.9168 116.3634 54.4646 30.0121 174.6696 18 I 4.2994 8.1457 122.1754 59.9281 39.8022 175.6679 19 I 4.3286 8.0977 126.7990 60.8875 37.9829 175.3777 20 R 4.5562 8.3060 124.7226 54.5751 34.9410 173.5953 21 Y 5.7446 9.2499 118.2374 56.6107 41.0307 175.1507 22 F 5.7496 9.3478 116.4591 55.4774 42.0940 172.7763 23 Y 4.3707 9.5786 122.7625 57.1700 39.5860 174.4040 24 N 4.5964 7.9584 126.2328 51.8703 39.1902 175.0932 25 A 3.9400 8.8394 132.5231 55.7923 18.8489 179.4257 26 K 4.0657 8.1070 115.4525 57.5523 31.8540 179.7975 27 A 4.0921 7.7887 120.8085 52.6220 18.8749 178.3813 28 G 3.8688 9.4009 103.6257 45.2565 0.0000 172.5068 29 L 4.5813 6.6302 118.4511 54.3773 44.1368 174.9760 30 C 4.8844 8.5440 116.8101 56.8135 42.4103 173.1374 31 Q 4.8416 8.4937 121.1019 54.3313 33.1294 174.2338 32 T 5.1781 8.5492 110.2586 61.2590 70.8158 173.9156 33 F 4.9787 8.6978 116.3305 56.0074 41.8252 173.0054 34 V 4.2814 8.4392 120.4972 62.2016 32.3741 174.2895 35 Y 4.7296 8.8473 130.3597 56.2149 40.1315 176.6752 36 G 3.7269 8.2793 114.2619 47.1838 0.0000 174.8867 37 G 3.7278 5.8773 106.3941 45.3595 0.0000 172.3142 38 C 4.8549 7.1068 112.3103 54.6167 45.1056 173.4594 39 R 3.7317 8.6275 116.9936 57.4241 26.8767 176.5216 40 A 4.4606 7.7934 119.1583 51.8510 19.8107 177.8300 41 K 4.4115 8.2779 120.3425 54.8088 33.9406 177.4251 42 R 3.5633 8.1314 118.3777 59.1758 30.1271 177.5520 43 N 4.9114 7.7844 117.6379 51.5267 36.9364 173.2458 44 N 5.0432 7.1749 116.8035 52.8006 41.7132 173.2063 45 F 4.9448 9.7010 126.2350 55.6467 41.8497 176.9619 46 K 4.0720 9.1891 124.3412 58.5709 32.8654 177.3773 47 S 4.8321 8.0451 112.5042 56.4669 64.9600 174.5264 48 A 3.3472 8.0411 130.3872 54.6520 18.1381 179.3134 49 E 3.7365 7.9204 117.4532 59.6233 29.7124 178.5756 50 D 4.3049 7.6667 118.6431 57.4578 40.8897 177.9992 51 C 2.4500 7.5367 118.2272 59.5473 37.7716 175.6946 52 M 3.7852 7.8178 119.6462 57.6514 31.2054 178.5744 53 R 3.9511 7.3399 117.9677 59.0485 30.4764 178.2786 54 T 4.0689 7.7111 114.6572 66.2903 68.5875 175.1916 55 C 4.3981 7.5389 115.2686 56.3577 40.5312 174.2256 56 G 4.1273 7.6379 114.0728 45.2086 0.0000 174.2378 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 R 8.25 4.08 0.00 1.59 1.79 0.00 2.86 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 2 P 0.00 4.03 0.00 1.10 1.66 0.00 3.30 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 3 D 8.53 4.39 0.00 2.68 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 4 F 8.03 4.77 0.00 3.24 3.37 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 5 C 7.31 4.68 0.00 2.84 3.03 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 6 L 7.68 4.39 0.00 1.74 1.76 0.93 0.89 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 7 E 7.51 4.25 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 8 P 0.00 4.55 0.00 1.99 1.92 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 9 P 0.00 3.52 0.00 0.77 0.49 0.00 3.37 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.00 10 Y 7.83 4.65 0.00 2.76 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 11 T 8.28 4.16 4.13 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 1.20 0.00 0.00 12 G 6.83 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.17 2.19 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.79 4.48 0.00 2.79 2.95 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 0.00 0.00 0.00 15 K 8.36 3.80 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.00 7.81 16 A 7.61 4.18 1.21 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 0.00 0.00 0.00 17 R 7.92 4.78 0.00 1.85 1.78 0.00 3.31 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 18 I 8.15 4.30 1.88 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 1.12 0.97 0.91 0.00 0.00 19 I 8.10 4.33 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.58 0.00 0.00 20 R 8.31 4.56 0.00 0.68 1.61 0.00 3.35 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 21 Y 9.25 5.74 0.00 3.07 2.97 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 22 F 9.35 5.75 0.00 3.11 3.10 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 23 Y 9.58 4.37 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.60 0.00 2.37 2.44 0.00 0.00 6.65 7.56 0.00 0.00 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 A 8.84 3.94 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 26 K 8.11 4.07 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.79 4.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.40 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.63 4.58 0.00 1.65 1.69 0.80 0.61 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 30 C 8.54 4.88 0.00 2.82 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 31 Q 8.49 4.84 0.00 1.52 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 32 T 8.55 5.18 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 33 F 8.70 4.98 0.00 2.98 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 34 V 8.44 4.28 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.85 4.73 0.00 2.54 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 36 G 8.28 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.11 4.85 0.00 3.04 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 39 R 8.63 3.73 0.00 2.40 2.20 0.00 3.32 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 7.79 4.46 1.06 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 0.00 0.00 41 K 8.28 4.41 0.00 2.03 1.86 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.02 7.81 42 R 8.13 3.56 0.00 1.29 0.66 0.00 2.21 0.00 0.00 2.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 43 N 7.78 4.91 0.00 3.17 2.88 0.00 0.00 6.70 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 44 N 7.17 5.04 0.00 2.75 2.57 0.00 0.00 7.09 7.02 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 45 F 9.70 4.94 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.19 4.07 0.00 1.79 1.94 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.05 4.83 0.00 3.97 3.95 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 0.00 0.00 0.00 48 A 8.04 3.35 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.92 3.74 0.00 1.97 1.91 0.00 0.00 0.00 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 2.35 0.00 50 D 7.67 4.30 0.00 2.98 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 51 C 7.54 2.45 0.00 2.61 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 52 M 7.82 3.79 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 53 R 7.34 3.95 0.00 1.74 1.99 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 T 7.71 4.07 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 1.49 0.00 0.00 55 C 7.54 4.40 0.00 2.34 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 0.00 0.00 0.00 56 G 7.64 4.13 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 0.00 0.00 0.00