NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 3.9510 8.2233 120.3994 54.1420 43.3200 175.1317 5 Y 4.7908 8.1302 114.2576 57.1415 39.6898 170.3967 6 V 4.8419 7.8226 112.7282 59.7546 35.8118 174.7961 7 M 4.4746 9.2675 125.3932 53.6171 33.8250 174.0945 8 A 4.7511 8.7924 129.7321 51.8212 20.0108 176.8970 9 T 4.5820 8.3691 113.7144 59.6244 71.6691 175.3919 10 K 3.7548 8.6692 122.6316 60.0406 31.8995 177.2871 11 D 4.4610 7.9522 114.7228 54.8709 40.9383 177.2112 12 G 3.9748 8.3748 109.0571 44.9167 0.0000 174.2168 13 R 3.9767 7.5903 117.2258 56.0469 30.2599 174.9500 14 M 4.6961 8.4941 122.0019 54.6855 33.2137 174.9348 15 I 4.3267 8.5621 128.5406 59.8311 39.2173 175.2230 16 L 4.6734 8.6876 127.8372 54.9775 41.7016 176.4231 17 T 4.9416 8.6634 114.9883 59.6651 70.8418 174.4713 18 D 4.3740 9.3188 123.1393 56.1466 41.8816 176.7003 19 G 3.8080 7.9546 103.2327 46.5119 0.0000 171.7051 20 K 3.7347 8.2048 112.7087 56.6758 28.5575 174.0973 21 P 4.7768 0.0000 0.0000 62.3419 33.6544 176.8394 22 E 4.6247 9.0735 121.7141 54.9149 31.5991 174.9274 23 I 4.6464 8.2814 125.8539 60.0549 39.0122 176.0547 24 D 4.5785 9.3727 128.1698 53.5301 39.4319 176.4907 25 D 4.6438 8.4443 122.2968 53.8586 39.7865 177.1687 26 D 4.6192 7.8612 118.9914 54.9293 40.2663 176.8862 27 T 4.3678 7.9367 110.7697 62.1541 70.3382 174.0379 28 G 4.1596 8.9427 110.2986 45.4420 0.0000 172.1342 29 L 5.0440 8.0550 118.9281 52.6955 44.3037 175.8309 30 V 4.4888 8.8493 124.3939 61.3576 33.3743 175.1305 31 S 5.1097 9.4380 126.8906 58.2705 63.5665 173.3593 32 Y 4.9538 9.2372 124.0632 55.4089 41.7168 174.0552 33 H 5.3176 8.4765 115.3596 54.0552 31.7099 174.4836 34 D 5.0906 8.7469 124.3210 53.4572 41.7871 177.4121 35 Q 3.9963 8.6747 118.5724 59.4700 28.5813 178.1376 36 Q 4.1786 8.0486 113.8358 56.0122 28.9828 175.7455 37 G 3.7301 8.1304 106.3050 46.5773 0.0000 173.1138 38 N 4.7864 8.0201 116.4321 51.1552 40.8856 174.4807 39 A 5.3409 8.4408 126.1686 50.6521 19.0198 175.9040 40 M 4.7780 7.7097 119.7709 54.3330 36.5794 174.7256 41 Q 5.3011 8.7003 119.2721 54.4031 31.3042 175.3314 42 I 4.5448 8.7819 118.1332 58.8661 41.4329 173.9392 43 N 4.8954 8.4617 120.1452 52.5177 39.8985 175.8300 44 R 3.9581 8.5822 122.0472 59.4712 29.5541 178.6344 45 D 4.4548 8.2729 117.2064 56.4536 41.0504 176.9183 46 D 4.4532 8.0509 118.3278 55.0930 41.3149 176.1161 47 V 3.9811 7.3800 120.0450 62.3084 30.9092 174.0607 48 S 4.4070 8.0335 121.5799 58.3599 64.4276 173.2390 49 Q 4.4845 8.8072 122.5307 54.5132 30.8495 175.6889 50 I 3.9458 8.0569 122.6009 61.1128 38.5975 175.7580 51 I 3.7690 6.7878 115.7713 60.2682 40.2725 172.4292 52 E 3.9847 8.7781 123.0527 56.3702 28.9751 176.5581 53 R 4.1890 8.4188 124.6225 56.3538 30.3286 176.6574 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 4 D 8.22 3.95 0.00 2.60 2.52 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 5 Y 8.13 4.79 0.00 3.03 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 6 V 7.82 4.84 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 0.79 0.00 0.00 1.03 0.00 0.00 7 M 9.27 4.47 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 8 A 8.79 4.75 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 9 T 8.37 4.58 4.25 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 0.00 0.00 0.00 1.18 0.00 0.00 10 K 8.67 3.75 0.00 1.69 1.89 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 11 D 7.95 4.46 0.00 2.69 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 G 8.37 3.97 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 0.00 0.00 0.00 13 R 7.59 3.98 0.00 1.99 2.06 0.00 2.93 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 14 M 8.49 4.70 0.00 2.05 2.02 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 2.57 0.00 15 I 8.56 4.33 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.35 0.91 0.00 0.00 16 L 8.69 4.67 0.00 1.67 1.68 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.66 4.94 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 18 D 9.32 4.37 0.00 2.72 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.95 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 0.00 0.00 0.00 20 K 8.20 3.73 0.00 1.96 1.92 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.46 7.81 21 P 0.00 4.78 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 22 E 9.07 4.62 0.00 1.87 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 2.23 2.40 0.00 23 I 8.28 4.65 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 1.35 0.52 0.96 0.00 0.00 24 D 9.37 4.58 0.00 2.66 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 25 D 8.44 4.64 0.00 2.78 2.78 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 26 D 7.86 4.62 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.94 4.37 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 1.25 0.00 0.00 28 G 8.94 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 0.00 0.00 0.00 0.00 29 L 8.06 5.04 0.00 1.62 1.60 0.96 0.78 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 30 V 8.85 4.49 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 1.04 0.00 0.00 0.94 0.00 0.00 31 S 9.44 5.11 0.00 3.89 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 32 Y 9.24 4.95 0.00 2.96 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 33 H 8.48 5.32 0.00 3.11 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.75 5.09 0.00 2.68 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.67 4.00 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.12 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 36 Q 8.05 4.18 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 37 G 8.13 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 N 8.02 4.79 0.00 2.55 2.64 0.00 0.00 6.91 7.70 0.00 0.00 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 A 8.44 5.34 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 7.71 4.78 0.00 1.96 1.55 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 41 Q 8.70 5.30 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 42 I 8.78 4.54 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.18 0.88 0.00 0.00 43 N 8.46 4.90 0.00 2.74 2.89 0.00 0.00 6.64 7.65 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 44 R 8.58 3.96 0.00 2.04 2.22 0.00 2.82 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 45 D 8.27 4.45 0.00 2.79 2.76 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 0.00 0.00 0.00 46 D 8.05 4.45 0.00 2.97 2.65 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 47 V 7.38 3.98 2.17 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 0.64 0.00 0.00 1.00 0.00 0.00 48 S 8.03 4.41 0.00 3.81 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 49 Q 8.81 4.48 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.37 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 50 I 8.06 3.95 1.84 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 1.27 0.79 0.86 0.00 0.00 51 I 6.79 3.77 1.82 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 1.27 0.48 0.87 0.00 0.00 52 E 8.78 3.98 0.00 1.95 1.87 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 2.28 2.32 0.00 53 R 8.42 4.19 0.00 1.82 1.80 0.00 3.27 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00