NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0792 8.2549 120.8390 55.0544 31.1554 175.2165 2 P 4.0241 0.0000 0.0000 62.3242 32.1163 176.5424 3 D 4.3982 8.5365 123.9980 58.4742 40.6461 178.6639 4 F 4.6339 8.0462 114.6584 59.6961 37.5968 177.6215 5 C 4.6641 7.3355 115.5526 58.6848 40.0267 174.5244 6 L 4.3658 7.6994 119.2997 54.0611 42.1035 176.6860 7 E 4.2463 7.3951 118.9328 55.5890 30.1031 174.9969 8 P 4.5836 0.0000 0.0000 60.8443 32.4420 174.6603 9 P 3.5415 0.0000 0.0000 62.7688 31.3043 175.2076 10 Y 4.5230 7.8353 122.4032 55.9680 40.1568 175.2305 11 T 4.2661 8.3161 125.3978 65.3758 68.8566 176.2438 12 G 4.1251 7.2851 104.4044 44.3910 0.0000 171.2675 13 P 4.3748 0.0000 0.0000 63.9614 31.8160 177.5010 14 C 4.5614 7.7206 117.4817 56.2369 40.9879 174.4671 15 K 3.7835 8.3596 120.2383 58.9190 32.9637 177.2910 16 A 4.0739 7.6180 121.6131 52.0774 19.5773 176.8176 17 R 4.7786 8.0402 116.6501 54.3112 30.0244 174.5235 18 I 4.3804 8.2176 122.3274 59.6371 40.0098 175.4130 19 I 4.3750 8.1146 126.8381 60.8736 37.9950 175.3724 20 R 4.5546 8.3226 124.6862 54.5916 34.9318 173.5713 21 Y 5.7342 9.1855 118.2137 56.6093 41.0153 175.1494 22 F 5.7635 9.3754 116.5267 55.4972 42.1150 172.7315 23 Y 4.3915 9.6061 122.6767 57.0998 39.6514 174.4456 24 N 4.6044 7.9211 126.1784 51.8458 39.1715 175.0442 25 A 3.9260 8.8403 132.3716 55.7790 18.8303 179.4477 26 K 4.0571 8.1150 115.3725 57.5582 31.8330 179.7582 27 A 4.0973 7.7874 120.7174 52.5856 18.8921 178.3630 28 G 3.8642 9.3332 103.5572 45.2600 0.0000 172.5254 29 L 4.5785 6.6263 118.4549 54.3707 44.1359 174.9522 30 C 4.9303 8.5596 116.8594 56.8401 42.1449 173.1672 31 Q 4.8607 8.4809 121.1995 54.2656 33.0323 174.3352 32 T 5.1432 8.5447 110.3232 61.3227 70.7936 173.8832 33 F 4.9740 8.7045 116.2830 56.0465 41.8318 173.0018 34 V 4.3205 8.4489 120.4438 62.1490 32.3187 174.2847 35 Y 4.7490 8.8054 130.4988 56.2724 40.0451 176.6663 36 G 3.7849 8.4124 114.4715 47.3807 0.0000 174.7631 37 G 3.7282 5.9246 106.2191 45.3587 0.0000 172.3811 38 C 4.8550 7.2330 112.4962 54.8175 44.9805 173.4769 39 R 3.7059 8.6580 117.1922 57.4560 26.8880 176.4758 40 A 4.4010 7.8071 119.0947 51.9720 19.7186 177.8851 41 K 4.3252 8.0503 119.9388 54.7763 34.3022 177.1211 42 R 3.5374 8.1104 117.8388 59.4260 30.1355 177.5159 43 N 4.9132 7.4663 117.6022 51.5922 36.7417 173.6137 44 N 5.0348 7.1379 116.7181 52.8369 41.6688 173.2671 45 F 4.9360 9.6276 126.1925 55.6510 41.8961 176.9523 46 K 4.0445 9.1856 124.2541 58.5778 32.8505 177.3916 47 S 4.8298 8.0479 112.4959 56.4897 64.9560 174.5325 48 A 3.3488 8.0310 130.3758 54.6377 18.1044 179.3067 49 E 3.7392 7.9402 117.4619 59.6177 29.7079 178.5680 50 D 4.2794 7.6290 118.1921 57.4812 40.8706 177.9870 51 C 2.4500 7.5058 118.1668 59.5571 38.0949 175.7228 52 M 3.7917 7.7945 119.9434 58.0034 31.2061 178.7533 53 R 3.8793 7.5286 118.4319 59.3067 30.3574 178.4137 54 T 4.0596 7.7035 114.6775 66.3129 68.5851 175.1503 55 C 4.3746 7.5644 115.2728 56.3558 40.4989 174.2178 56 G 4.0659 7.6254 114.0934 45.1513 0.0000 174.2153 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 1.80 0.00 2.86 0.00 0.00 2.85 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 4.02 0.00 1.11 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 1.89 2.01 0.00 3 D 8.54 4.40 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 8.05 4.63 0.00 3.23 3.36 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 5 C 7.34 4.66 0.00 2.86 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 7.70 4.37 0.00 1.74 1.76 0.93 0.84 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 7.40 4.25 0.00 2.14 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 2.39 2.50 0.00 8 P 0.00 4.58 0.00 2.00 1.92 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 P 0.00 3.54 0.00 0.74 0.49 0.00 3.36 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.00 10 Y 7.84 4.52 0.00 2.77 2.84 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 11 T 8.32 4.27 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 1.23 0.00 0.00 12 G 7.29 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 13 P 0.00 4.37 0.00 2.18 2.17 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 14 C 7.72 4.56 0.00 2.82 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 15 K 8.36 3.78 0.00 1.82 1.89 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 16 A 7.62 4.07 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 17 R 8.04 4.78 0.00 1.61 1.79 0.00 3.16 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 18 I 8.22 4.38 1.89 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 1.14 0.87 0.92 0.00 0.00 19 I 8.11 4.38 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.58 0.00 0.00 20 R 8.32 4.55 0.00 0.72 1.60 0.00 3.35 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 21 Y 9.19 5.73 0.00 3.10 2.98 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 0.00 0.00 0.00 22 F 9.38 5.76 0.00 3.10 3.11 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 23 Y 9.61 4.39 0.00 3.00 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 24 N 7.92 4.60 0.00 2.38 2.45 0.00 0.00 6.65 7.20 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 25 A 8.84 3.93 1.39 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 0.00 0.00 26 K 8.11 4.06 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 4.10 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 9.33 3.86 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 0.00 0.00 0.00 29 L 6.63 4.58 0.00 1.65 1.69 0.80 0.62 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 C 8.56 4.93 0.00 2.82 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 31 Q 8.48 4.86 0.00 1.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 32 T 8.54 5.14 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 1.24 0.00 0.00 33 F 8.70 4.97 0.00 2.99 3.16 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 0.00 34 V 8.45 4.32 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.81 4.75 0.00 2.56 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 36 G 8.41 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.92 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 7.23 4.86 0.00 3.05 2.98 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 0.00 0.00 0.00 39 R 8.66 3.71 0.00 2.14 2.12 0.00 3.24 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 40 A 7.81 4.40 1.02 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 0.00 0.00 0.00 0.00 0.00 41 K 8.05 4.33 0.00 1.65 1.78 0.00 1.51 0.00 0.00 1.27 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.84 1.01 7.81 42 R 8.11 3.54 0.00 1.31 0.66 0.00 2.21 0.00 0.00 2.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 0.00 43 N 7.47 4.91 0.00 3.11 2.88 0.00 0.00 6.96 7.67 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 44 N 7.14 5.03 0.00 2.72 2.56 0.00 0.00 7.10 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 9.63 4.94 0.00 3.26 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 4.04 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 8.03 3.35 0.45 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 49 E 7.94 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 7.63 4.28 0.00 3.01 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 7.51 2.45 0.00 2.62 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 52 M 7.79 3.79 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 53 R 7.53 3.88 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.70 4.06 4.18 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 1.46 0.00 0.00 55 C 7.56 4.37 0.00 2.33 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 0.00 0.00 0.00 56 G 7.63 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00