NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4405 8.2893 120.3291 54.6348 33.4287 174.6643 2 Q 3.8304 8.4277 118.6059 55.5634 28.1814 170.7605 3 V 3.5657 8.7645 126.1454 62.0654 33.2191 176.9702 4 I 3.2097 8.2791 125.5833 60.8952 37.3057 172.7215 5 L 4.4237 7.6094 120.1458 55.0872 45.0500 173.8617 6 L 4.5206 8.2784 120.2574 55.1303 47.0146 174.8070 7 E 4.4547 8.0569 119.9759 53.8377 29.7306 172.7921 8 P 4.8851 0.0000 0.0000 64.6543 30.7733 178.6273 9 S 4.0800 10.2387 113.9377 58.4930 60.2293 169.9183 10 R 4.1684 7.7497 118.6820 56.0772 32.3221 173.8039 11 L 3.4272 9.2519 123.3285 55.7838 38.6901 176.5076 12 G 3.8684 8.1381 111.6762 46.5934 0.0000 169.5683 13 K 4.4657 8.3272 115.6753 57.2868 37.9762 176.8560 14 T 4.1329 7.8451 108.9237 61.9312 69.7240 173.2093 15 G 4.4969 8.2309 108.0395 45.4021 0.0000 172.9529 16 E 4.9356 8.2564 115.0278 54.9826 32.0965 176.6056 17 V 4.1711 8.0604 122.3829 60.5901 30.8798 176.1978 18 V 4.4838 7.2123 117.8480 61.9180 34.9540 174.8851 19 S 4.5712 8.3076 120.4328 55.7360 63.0261 173.6642 20 V 3.7025 8.3582 127.5593 66.5689 31.6091 176.9286 21 K 4.2457 7.7398 117.0802 56.2948 32.9718 177.6024 22 D 4.5833 8.4566 121.3053 54.3790 38.6765 177.6903 23 G 4.1025 7.9302 104.2827 46.3902 0.0000 172.0694 24 Y 4.4599 7.5213 116.8447 57.1847 36.6797 175.3724 25 A 4.2864 7.0843 125.4859 54.4946 20.1453 178.3466 26 R 4.1332 7.5399 118.4775 54.2112 27.9738 175.4375 27 N 4.2988 7.6921 118.1068 52.7604 43.0489 174.4896 28 W 5.1017 8.1027 124.6491 57.8503 37.4421 174.5551 29 L 4.3447 7.9091 120.4028 52.6529 40.3566 175.1958 30 I 4.3162 6.9909 117.6395 61.1582 44.6552 172.3017 31 P 4.8550 0.0000 0.0000 62.4635 31.5126 175.7977 32 Q 4.4004 7.6472 116.5854 55.8464 29.5988 175.7407 33 G 4.0603 8.5175 107.6347 45.4450 0.0000 175.8078 34 L 5.2889 7.4518 125.2929 54.2608 41.1718 175.7866 35 A 4.2287 8.8872 129.9842 54.3073 23.9269 178.4695 36 V 3.2786 8.7884 105.6388 62.1674 29.3812 169.9998 37 S 3.8902 8.5820 120.0348 58.2971 62.5880 170.8774 38 A 4.4216 7.9144 124.6479 52.5604 22.5352 175.9021 39 T 4.8380 7.8033 111.5501 60.7989 69.4612 173.5772 40 R 4.5017 8.4725 116.7710 56.3762 30.6391 176.7911 41 T 4.3482 7.5687 110.4333 61.0812 67.6122 174.9926 42 N 5.2419 7.6338 111.9766 53.7876 38.1579 175.3794 43 M 4.7458 7.5282 117.3335 52.6569 33.6970 174.7310 44 K 4.6381 8.9257 123.5573 57.2478 34.4521 173.4238 45 T 4.5043 7.8961 117.0361 63.1575 66.0063 171.6387 46 L 5.0612 7.2952 118.9734 54.1419 44.6009 174.4635 47 E 5.8647 8.0332 130.7774 57.4468 29.9648 177.3725 48 A 4.6171 6.8905 122.4388 50.1033 18.2660 176.2804 49 Q 4.7027 7.0794 114.0754 55.1289 31.2242 173.1246 50 L 4.3019 8.0678 113.1323 54.7374 44.4094 172.6420 51 R 4.2389 8.5673 127.9232 56.5137 33.5579 175.2274 52 S 4.0540 8.8025 115.1838 59.8980 63.3254 172.5513 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 M 8.29 4.44 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 Q 8.43 3.83 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 3 V 8.76 3.57 2.46 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 0.88 0.00 0.00 1.00 0.00 0.00 4 I 8.28 3.21 1.87 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 1.18 0.42 0.91 0.00 0.00 5 L 7.61 4.42 0.00 1.35 1.82 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.28 4.52 0.00 1.58 1.58 0.91 0.87 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 7 E 8.06 4.45 0.00 2.00 1.80 0.00 0.00 0.00 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 2.25 0.00 8 P 0.00 4.89 0.00 2.25 1.99 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 S 10.24 4.08 0.00 4.05 4.09 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 10 R 7.75 4.17 0.00 1.67 1.85 0.00 3.31 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 L 9.25 3.43 0.00 1.76 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.14 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 13 K 8.33 4.47 0.00 1.68 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.52 7.81 14 T 7.85 4.13 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 15 G 8.23 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.94 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 17 V 8.06 4.17 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 0.73 0.00 0.00 0.94 0.00 0.00 18 V 7.21 4.48 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 0.89 0.00 0.00 0.94 0.00 0.00 19 S 8.31 4.57 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 20 V 8.36 3.70 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 0.83 0.00 0.00 0.95 0.00 0.00 21 K 7.74 4.25 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 D 8.46 4.58 0.00 2.67 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 23 G 7.93 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 24 Y 7.52 4.46 0.00 2.90 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 25 A 7.08 4.29 1.28 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 0.00 0.00 26 R 7.54 4.13 0.00 1.75 1.83 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 N 7.69 4.30 0.00 1.64 1.57 0.00 0.00 6.96 7.68 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 28 W 8.10 5.10 0.00 3.24 3.33 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 29 L 7.91 4.34 0.00 1.74 1.55 0.83 1.04 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 30 I 6.99 4.32 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 1.43 0.32 0.85 0.00 0.00 31 P 0.00 4.85 0.00 2.16 2.08 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 32 Q 7.65 4.40 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 33 G 8.52 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 0.00 0.00 0.00 34 L 7.45 5.29 0.00 1.55 1.49 0.90 0.79 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 35 A 8.89 4.23 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 36 V 8.79 3.28 2.08 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 0.74 0.00 0.00 1.00 0.00 0.00 37 S 8.58 3.89 0.00 4.10 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 38 A 7.91 4.42 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 39 T 7.80 4.84 4.23 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 1.22 0.00 0.00 40 R 8.47 4.50 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 41 T 7.57 4.35 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 42 N 7.63 5.24 0.00 2.78 2.86 0.00 0.00 6.12 7.66 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 43 M 7.53 4.75 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 44 K 8.93 4.64 0.00 1.90 1.73 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.18 7.81 45 T 7.90 4.50 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 1.31 0.00 0.00 46 L 7.30 5.06 0.00 1.59 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.03 5.86 0.00 2.02 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 2.05 2.10 0.00 48 A 6.89 4.62 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 49 Q 7.08 4.70 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 50 L 8.07 4.30 0.00 1.58 1.50 0.92 0.93 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 51 R 8.57 4.24 0.00 1.79 1.76 0.00 3.41 0.00 0.00 3.15 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 52 S 8.80 4.05 0.00 3.98 3.81 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