NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2821 8.2493 123.5794 50.9460 19.4203 176.5850 7 P 4.1343 0.0000 0.0000 61.9208 31.5890 174.5605 8 D 4.7250 8.8171 123.1641 51.4339 42.8347 177.8210 9 F 3.6377 8.8768 119.6684 62.2211 38.9721 176.8429 10 H 4.5089 8.1406 114.9303 58.8710 28.3342 177.4424 11 D 4.3180 8.3895 120.0724 57.2435 40.7667 178.7014 12 K 3.8800 7.4971 117.3578 59.1279 32.3643 178.2956 13 Y 4.9155 7.5530 114.4325 57.7349 38.4778 177.6046 14 G 3.8466 8.5519 108.2895 48.5246 0.0000 175.3231 15 N 4.3082 8.2805 118.0670 55.6374 38.5930 177.2867 16 A 3.9710 7.9639 121.5104 55.2600 18.6815 179.4858 17 V 3.5504 7.9889 116.4393 66.4953 31.4679 177.5651 18 L 3.9772 8.3537 120.0509 57.8643 41.9438 178.2704 19 A 4.0031 8.4949 120.4104 55.9102 18.2897 179.7260 20 S 4.3617 8.6692 111.6457 60.5854 63.1224 176.8538 21 G 3.6468 7.9194 109.6480 47.5298 0.0000 175.7671 22 A 4.0008 8.2685 123.3510 55.2391 18.4806 179.4455 23 T 3.8946 7.9344 114.2494 67.1621 68.5500 176.3479 24 F 4.3146 8.0924 121.9286 61.4144 39.3085 176.4690 25 C 4.0905 8.1656 117.9071 62.5056 31.3316 175.4160 26 V 3.6194 8.0063 119.3844 66.1529 31.1100 177.5846 27 A 4.0408 8.1573 120.3907 55.5046 18.2463 180.1197 28 V 3.5356 7.8668 117.4313 64.4147 31.2842 178.6950 29 W 3.5554 8.4975 120.0209 59.5132 29.0709 178.5737 30 V 3.6648 8.2306 118.5129 66.0888 30.8766 177.4642 31 Y 3.9710 8.1388 119.1889 61.0486 38.5482 177.3087 32 M 3.9551 8.1207 117.5552 58.8853 32.2341 177.7625 33 A 4.5640 8.3773 120.5553 54.4722 18.7124 178.6335 34 T 4.5623 7.7425 104.4537 61.4915 70.3037 174.7929 35 Q 4.3322 7.8972 119.7736 55.5319 29.1923 175.7060 36 I 4.2432 7.3508 109.6839 60.0445 38.2502 175.1718 37 G 3.6250 7.9936 107.0469 46.9458 0.0000 174.0429 38 I 3.8701 7.4619 119.1354 59.4461 38.4206 175.5993 39 E 4.2158 8.2702 126.5647 54.8938 29.3472 175.7950 40 W 4.1675 8.7022 127.0643 57.1838 30.2336 176.0160 41 N 4.0998 8.2192 116.0803 53.9517 36.7413 170.5667 42 P 4.5961 0.0000 0.0000 61.8324 33.1119 176.3387 43 S 4.2200 8.3647 113.3992 57.6284 62.7577 172.2832 44 P 4.3308 0.0000 0.0000 65.0869 31.7630 176.8400 45 V 3.6632 7.3458 117.6209 64.4560 31.5831 177.4346 46 G 4.1192 8.9776 114.1686 45.7869 0.0000 173.9734 47 R 4.3958 7.6525 113.9740 56.9908 31.3062 176.6435 48 V 4.0157 8.0399 117.2968 61.7049 32.4920 175.0297 49 T 4.4184 8.1542 122.5086 60.9641 69.3388 172.7902 50 P 4.2250 0.0000 0.0000 62.9172 31.6177 175.6488 51 K 4.6389 8.3643 124.2448 53.9723 34.2025 175.5788 52 E 4.1916 8.7905 124.5680 56.6693 29.8963 176.9217 53 W 4.7652 8.2128 118.0574 56.7943 30.5186 175.3703 54 R 3.6706 6.7130 122.5818 56.1208 29.3707 175.5908 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 6 A 8.25 4.28 1.26 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 7 P 0.00 4.13 0.00 2.17 2.04 0.00 3.72 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 1.93 1.96 0.00 8 D 8.82 4.72 0.00 2.87 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 9 F 8.88 3.64 0.00 3.20 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 10 H 8.14 4.51 0.00 3.27 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.39 4.32 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 12 K 7.50 3.88 0.00 0.79 0.74 0.00 1.08 0.00 0.00 1.15 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 1.31 7.81 13 Y 7.55 4.92 0.00 2.65 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 14 G 8.55 3.85 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 0.00 0.00 0.00 15 N 8.28 4.31 0.00 2.77 2.93 0.00 0.00 6.81 7.09 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 16 A 7.96 3.97 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 17 V 7.99 3.55 2.21 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 1.06 0.00 0.00 1.06 0.00 0.00 18 L 8.35 3.98 0.00 1.90 1.78 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.49 4.00 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 20 S 8.67 4.36 0.00 4.05 4.14 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 0.00 0.00 0.00 0.00 21 G 7.92 3.65 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 0.00 0.00 0.00 22 A 8.27 4.00 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 23 T 7.93 3.89 4.33 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 1.29 0.00 0.00 24 F 8.09 4.31 0.00 3.09 3.30 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 25 C 8.17 4.09 0.00 3.30 3.07 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 26 V 8.01 3.62 2.25 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 1.08 0.00 0.00 0.95 0.00 0.00 27 A 8.16 4.04 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 28 V 7.87 3.54 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.69 0.00 0.00 29 W 8.50 3.56 0.00 3.58 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 30 V 8.23 3.66 2.27 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 1.05 0.00 0.00 0.99 0.00 0.00 31 Y 8.14 3.97 0.00 3.05 3.01 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 0.00 0.00 0.00 32 M 8.12 3.96 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 33 A 8.38 4.56 1.50 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 34 T 7.74 4.56 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 35 Q 7.90 4.33 0.00 0.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.03 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 36 I 7.35 4.24 1.79 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 1.22 0.54 0.79 0.00 0.00 37 G 7.99 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 3.87 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.45 -0.15 0.00 0.00 39 E 8.27 4.22 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 40 W 8.70 4.17 0.00 3.32 3.24 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 0.00 41 N 8.22 4.10 0.00 2.84 2.85 0.00 0.00 7.21 7.63 0.00 0.00 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 P 0.00 4.60 0.00 2.24 2.11 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.36 4.22 0.00 3.86 3.82 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 44 P 0.00 4.33 0.00 2.21 2.08 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 45 V 7.35 3.66 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 8.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.40 0.00 1.92 2.02 0.00 3.07 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 48 V 8.04 4.02 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 0.80 0.00 0.00 0.94 0.00 0.00 49 T 8.15 4.42 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 1.23 0.00 0.00 50 P 0.00 4.23 0.00 2.08 2.07 0.00 3.67 0.00 0.00 3.79 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 51 K 8.36 4.64 0.00 1.73 1.73 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.47 7.81 52 E 8.79 4.19 0.00 2.00 1.82 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 2.33 2.24 0.00 53 W 8.21 4.77 0.00 3.56 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 54 R 6.71 3.67 0.00 0.67 1.12 0.00 3.18 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.00