NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5540 8.3881 117.5910 55.6942 33.0118 173.2583 2 K 4.5838 7.7841 115.2484 55.3133 35.9908 173.6211 3 I 4.3284 9.3415 125.6997 61.8374 37.7684 177.9145 4 A 4.2456 8.9638 129.7647 53.9208 20.1265 177.6653 5 K 4.2349 7.4147 113.5480 56.4417 35.6805 175.0265 6 V 3.9531 8.5659 128.4589 62.9204 31.7962 175.4896 7 I 3.9896 8.2493 128.3834 63.4802 37.7700 174.7357 8 N 4.5418 7.9152 116.8704 52.7565 42.2407 174.0898 9 N 5.1161 8.4766 115.9544 54.4720 39.4786 176.2814 10 N 5.3346 8.0946 114.4657 51.3607 41.5531 173.6796 11 V 4.9830 7.8408 119.8403 61.5277 35.3485 173.7191 12 I 4.9879 8.5410 119.5556 59.6725 41.6618 174.2894 13 S 5.2735 8.7707 119.5474 57.7331 65.6064 173.7204 14 V 5.1302 8.5041 118.8016 61.7970 34.8626 172.4791 15 V 4.3528 8.4326 125.1856 61.9745 32.2485 175.3639 16 N 4.6243 9.2084 127.0846 53.0663 39.4620 175.4208 17 E 4.0572 8.7000 120.4980 59.4733 29.7559 179.8544 18 Q 3.9260 7.9897 117.0090 58.2260 28.9393 176.7100 19 G 4.2247 7.6322 106.5752 45.3364 0.0000 173.4210 20 K 4.5912 8.0568 118.4179 54.4538 35.1183 174.9775 21 E 4.6658 8.5586 123.6693 55.5240 31.0203 175.0122 22 L 5.3892 9.0090 126.3134 52.9418 46.2428 175.4957 23 V 4.8330 8.8317 121.4824 61.1695 34.8612 174.7573 24 V 4.8809 9.1570 126.6944 61.6313 33.9656 173.9219 25 M 4.9069 9.1596 128.9291 54.5353 34.2417 175.8410 26 G 4.6172 8.8204 108.1869 46.3357 0.0000 172.5475 27 R 4.0912 8.9190 120.2060 56.7428 29.3361 175.7038 28 G 4.1260 8.6268 115.7303 46.4238 0.0000 172.4828 29 L 4.3679 8.1059 116.5644 55.7575 41.1301 176.5933 30 A 4.6563 8.4095 120.4851 51.6225 20.5443 175.7513 31 F 4.3040 8.4132 119.7984 60.3354 40.1127 174.9223 32 Q 2.6231 7.1590 127.9555 56.9052 27.0908 172.4058 33 K 4.4545 7.4565 117.5496 54.4257 34.9165 173.3712 34 K 4.6204 7.8589 118.4752 55.3392 35.6264 175.4215 35 S 4.5419 8.2021 114.3864 59.1097 63.7106 174.6615 36 G 4.0866 8.4602 113.2498 46.2331 0.0000 174.3958 37 D 4.5743 7.9050 118.3960 53.1217 42.1902 174.7735 38 D 4.9059 8.2787 123.2278 53.1685 41.9522 176.1653 39 V 3.5820 8.1808 125.7918 62.5033 30.6121 174.9265 40 D 4.4244 8.7010 126.7297 54.1925 40.6551 176.2939 41 E 4.1996 8.7718 126.1331 58.8901 29.9649 179.2267 42 A 4.0260 7.4957 121.0137 54.3850 18.7437 178.2046 43 R 4.5158 8.0237 113.5339 56.0109 30.3903 175.5403 44 I 4.3873 7.4338 120.4263 61.0332 37.3470 175.1898 45 E 4.5450 9.3433 125.8711 57.5071 31.7813 176.7507 46 K 4.6956 7.8851 118.0402 54.7330 36.6446 175.4344 47 V 4.9933 8.5830 124.8282 61.3291 33.2990 174.6036 48 F 4.8376 9.6509 127.2930 56.0346 41.6248 174.7574 49 T 4.9059 8.2373 111.5281 59.3163 70.9408 173.5102 50 L 4.0323 8.5852 127.7478 55.9889 42.5784 175.8783 51 D 4.9498 8.6145 124.4330 52.1397 44.3447 174.4970 52 N 4.6627 8.3981 118.5881 52.3674 38.9490 175.7204 53 K 4.1069 8.6417 125.6545 59.2993 33.0722 177.8862 54 D 4.4422 8.1469 119.3947 57.2983 41.0055 176.3621 55 V 3.7676 7.3804 122.2380 63.0823 31.4229 175.3330 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 8.39 4.55 0.00 2.19 2.32 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 2.56 2.63 0.00 2 K 7.78 4.58 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 3 I 9.34 4.33 1.96 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 1.16 0.79 0.96 0.00 0.00 4 A 8.96 4.25 1.24 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 0.00 0.00 5 K 7.41 4.23 0.00 1.79 1.61 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.21 7.81 6 V 8.57 3.95 2.05 0.00 0.00 0.00 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 0.91 0.00 0.00 7 I 8.25 3.99 1.93 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 1.28 0.73 0.87 0.00 0.00 8 N 7.92 4.54 0.00 2.65 2.62 0.00 0.00 7.12 6.25 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 9 N 8.48 5.12 0.00 2.82 3.18 0.00 0.00 7.45 7.00 0.00 0.00 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 N 8.09 5.33 0.00 2.68 2.98 0.00 0.00 7.03 7.71 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 11 V 7.84 4.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 12 I 8.54 4.99 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.91 0.00 0.00 13 S 8.77 5.27 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 14 V 8.50 5.13 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 0.99 0.00 0.00 0.97 0.00 0.00 15 V 8.43 4.35 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 0.85 0.00 0.00 0.93 0.00 0.00 16 N 9.21 4.62 0.00 2.82 2.68 0.00 0.00 6.78 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 17 E 8.70 4.06 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 18 Q 7.99 3.93 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 19 G 7.63 4.22 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 0.00 20 K 8.06 4.59 0.00 1.69 1.73 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.36 7.81 21 E 8.56 4.67 0.00 2.06 1.83 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 2.35 2.34 0.00 22 L 9.01 5.39 0.00 1.73 1.53 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.83 4.83 2.16 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 0.77 0.00 0.00 0.94 0.00 0.00 24 V 9.16 4.88 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 1.05 0.00 0.00 0.97 0.00 0.00 25 M 9.16 4.91 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 26 G 8.82 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.92 4.09 0.00 1.77 1.91 0.00 3.43 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 28 G 8.63 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 29 L 8.11 4.37 0.00 1.79 1.89 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.41 4.66 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.41 4.30 0.00 3.02 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 32 Q 7.16 2.62 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.45 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 33 K 7.46 4.45 0.00 1.72 1.65 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 34 K 7.86 4.62 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.43 7.81 35 S 8.20 4.54 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 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 0.00 0.00 0.00 37 D 7.91 4.57 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.91 0.00 2.68 2.55 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 0.00 0.00 0.00 0.00 39 V 8.18 3.58 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 0.83 0.00 0.00 0.94 0.00 0.00 40 D 8.70 4.42 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 4.20 0.00 2.20 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 0.00 2.37 2.32 0.00 42 A 7.50 4.03 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 43 R 8.02 4.52 0.00 2.02 1.93 0.00 3.14 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 44 I 7.43 4.39 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.94 0.00 0.00 45 E 9.34 4.55 0.00 2.11 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 2.27 2.29 0.00 46 K 7.89 4.70 0.00 1.83 2.04 0.00 1.74 0.00 0.00 2.04 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 47 V 8.58 4.99 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 0.85 0.00 0.00 0.96 0.00 0.00 48 F 9.65 4.84 0.00 2.96 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 49 T 8.24 4.91 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 1.21 0.00 0.00 50 L 8.59 4.03 0.00 1.78 1.66 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.61 4.95 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.66 0.00 2.80 2.70 0.00 0.00 6.64 6.34 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 53 K 8.64 4.11 0.00 1.89 1.94 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 54 D 8.15 4.44 0.00 2.69 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 55 V 7.38 3.77 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 0.71 0.00 0.00 0.93 0.00 0.00