NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1344 8.2549 117.2604 54.8263 30.5594 175.1323 2 P 3.9826 0.0000 0.0000 62.5409 31.9658 175.9215 3 D 4.3232 8.2854 120.9080 57.2380 41.6214 178.6741 4 F 4.3104 7.8314 114.6161 59.7980 37.5378 177.6133 5 C 4.6958 7.2470 115.5345 58.8868 40.0105 174.6280 6 L 4.3055 7.9389 119.4468 54.2598 42.1916 176.7602 7 E 4.1999 7.7710 119.5273 55.4121 30.0391 175.0519 8 P 4.5467 0.0000 0.0000 61.0467 32.5600 174.2710 9 P 3.5695 0.0000 0.0000 62.6157 31.3732 175.1779 10 Y 4.6377 7.7943 121.6129 56.0360 40.3503 175.3974 11 T 4.1923 8.2664 125.2858 64.8319 68.8893 176.1910 12 G 3.7320 6.7176 104.6084 44.1164 0.0000 171.4277 13 P 4.2821 0.0000 0.0000 64.9780 32.0327 177.7483 14 C 4.4729 7.8043 116.7415 56.6811 40.6539 173.9352 15 K 4.0415 8.2214 118.7836 57.2935 33.1466 176.7639 16 A 4.1633 7.7639 122.5950 52.0076 19.8304 176.8705 17 R 4.9368 8.1278 117.1232 54.1794 30.1653 174.3834 18 I 4.4395 8.4326 122.6322 59.4017 40.1424 175.0441 19 I 4.3801 8.1167 126.6126 61.0788 38.0851 175.3210 20 R 4.5292 8.2924 124.3359 54.7779 35.1259 173.3859 21 Y 5.6135 9.0292 117.6093 56.6670 41.1976 175.2304 22 F 5.7460 9.1782 115.8834 55.6711 42.2960 172.6971 23 Y 4.3817 10.0213 123.1605 57.2811 40.0230 174.0965 24 N 4.5467 8.3445 126.6433 51.5084 38.2722 174.7437 25 A 3.9195 8.5287 128.3646 55.0459 18.6678 179.0931 26 K 4.0142 8.1642 113.1591 59.1514 32.2015 177.9553 27 A 4.1851 8.1649 119.8820 51.6294 19.5108 176.8821 28 G 4.2728 7.9066 104.1546 45.4183 0.0000 172.9628 29 L 4.5999 6.6050 117.9420 53.8105 46.1092 174.8505 30 C 5.0611 8.6402 120.4454 56.2193 43.0941 172.7826 31 Q 4.7867 8.4506 120.8533 54.5042 33.3173 174.1210 32 T 5.1164 8.4618 110.2295 61.2052 70.9056 173.9199 33 F 4.9754 8.5398 115.8081 55.9445 41.7415 173.1891 34 V 4.1980 8.4803 120.8769 62.4658 32.1821 174.3498 35 Y 4.7509 9.1577 131.3770 56.3504 40.0716 176.4764 36 G 3.8556 8.2523 113.8351 46.4404 0.0000 175.0326 37 G 3.8676 6.6516 107.0270 45.1660 0.0000 171.9774 38 C 4.8203 7.1311 111.7897 55.1475 44.1536 172.9809 39 R 3.8412 8.7471 115.8352 57.2091 27.0580 176.9699 40 A 4.4104 8.3473 118.7978 52.3676 19.1382 177.8362 41 K 4.5001 8.1991 119.4744 54.2997 34.5998 177.0925 42 R 3.5022 8.2612 118.7251 59.4171 30.1681 177.6780 43 N 4.7968 7.6301 117.7281 51.6087 36.6918 173.9814 44 N 5.0312 6.9675 117.1312 52.8405 41.5776 173.2626 45 F 4.8885 9.4761 126.3990 55.4196 41.4539 177.1241 46 K 3.9947 9.1994 124.8215 58.4220 32.6775 177.2328 47 S 4.7994 8.0125 112.5648 56.1270 65.1455 174.3894 48 A 3.2571 7.9182 130.5059 54.7867 18.2077 179.1498 49 E 3.7312 7.9482 117.3629 59.7086 29.5506 178.7515 50 D 4.2798 7.8551 118.2096 57.2458 40.8024 177.8777 51 C 2.4500 7.5767 118.7331 59.3859 42.5232 175.7076 52 M 3.8593 7.7250 118.2851 57.9878 30.4895 178.2567 53 R 3.9039 7.3925 118.7633 59.1488 30.3740 178.1187 54 T 4.0736 7.8003 115.1097 65.9384 68.7028 175.4393 55 C 4.4934 8.0766 116.2420 56.8689 41.7093 174.2115 56 G 3.5569 7.4705 113.8415 45.5871 0.0000 173.3388 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 4.13 0.00 1.66 1.81 0.00 3.01 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 2 P 0.00 3.98 0.00 0.92 1.52 0.00 3.35 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 3 D 8.29 4.32 0.00 2.74 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 4 F 7.83 4.31 0.00 3.40 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 7.25 4.70 0.00 2.98 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 6 L 7.94 4.31 0.00 1.78 1.76 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.77 4.20 0.00 2.08 1.90 0.00 0.00 0.00 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 2.46 0.00 8 P 0.00 4.55 0.00 2.07 2.00 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 9 P 0.00 3.57 0.00 0.64 0.49 0.00 3.25 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.00 10 Y 7.79 4.64 0.00 2.75 2.89 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 11 T 8.27 4.19 4.11 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 1.22 0.00 0.00 12 G 6.72 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 13 P 0.00 4.28 0.00 2.17 2.19 0.00 3.76 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 1.96 2.02 0.00 14 C 7.80 4.47 0.00 2.85 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 8.22 4.04 0.00 1.78 1.86 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.43 7.81 16 A 7.76 4.16 1.19 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 0.00 0.00 0.00 17 R 8.13 4.94 0.00 1.60 1.79 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.43 4.44 1.99 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 1.23 0.86 0.92 0.00 0.00 19 I 8.12 4.38 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.59 0.00 0.00 20 R 8.29 4.53 0.00 0.67 1.66 0.00 3.18 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.34 0.00 21 Y 9.03 5.61 0.00 3.17 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 22 F 9.18 5.75 0.00 3.17 3.14 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 23 Y 10.02 4.38 0.00 3.20 3.23 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 0.00 24 N 8.34 4.55 0.00 2.26 2.47 0.00 0.00 6.63 8.34 0.00 0.00 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 8.53 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.01 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 27 A 8.16 4.19 1.19 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 0.00 0.00 0.00 28 G 7.91 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.60 4.60 0.00 1.52 1.30 0.89 0.92 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 30 C 8.64 5.06 0.00 2.90 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 8.45 4.79 0.00 1.47 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 32 T 8.46 5.12 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 1.08 0.00 0.00 33 F 8.54 4.98 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 34 V 8.48 4.20 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 0.91 0.00 0.00 35 Y 9.16 4.75 0.00 2.52 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 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 37 G 6.65 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 38 C 7.13 4.82 0.00 3.06 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 39 R 8.75 3.84 0.00 2.12 2.39 0.00 3.32 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 40 A 8.35 4.41 1.12 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 41 K 8.20 4.50 0.00 1.73 1.65 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.10 1.17 7.81 42 R 8.26 3.50 0.00 1.46 0.66 0.00 2.85 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 43 N 7.63 4.80 0.00 3.14 2.85 0.00 0.00 6.96 7.64 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 44 N 6.97 5.03 0.00 2.74 2.56 0.00 0.00 7.11 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 9.48 4.89 0.00 3.18 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 46 K 9.20 3.99 0.00 1.77 1.93 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 8.01 4.80 0.00 3.94 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 48 A 7.92 3.26 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 7.95 3.73 0.00 1.96 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 2.33 2.35 0.00 50 D 7.86 4.28 0.00 2.98 2.79 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 0.00 0.00 0.00 0.00 51 C 7.58 2.45 0.00 2.76 3.06 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 52 M 7.73 3.86 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 53 R 7.39 3.90 0.00 1.83 1.89 0.00 3.23 0.00 0.00 3.20 7.58 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 7.80 4.07 4.11 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 1.55 0.00 0.00 55 C 8.08 4.49 0.00 2.64 2.10 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 56 G 7.47 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00