NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2900 8.3001 120.3319 54.6969 33.3582 174.1286 2 A 3.9538 8.3545 122.3005 51.8102 17.5405 176.2175 3 Q 4.5142 8.9215 121.2511 56.6446 31.0002 170.9714 4 T 4.6407 8.2299 120.9822 61.4109 68.7661 173.5507 5 I 4.3553 8.9639 131.1440 60.7363 38.6809 174.5034 6 N 5.6081 8.6614 124.4842 51.0205 39.3391 173.5441 7 L 4.5512 8.8875 122.2602 55.1357 44.6280 173.7600 8 Q 4.9818 8.9698 118.5051 54.3974 30.3533 175.1498 9 L 4.9759 8.6765 124.0602 53.5405 44.4618 174.5462 10 E 4.5750 9.6407 128.5676 55.8389 31.2412 177.1296 11 G 4.0493 9.0461 114.0321 45.4475 0.0000 173.7371 12 M 2.5500 6.1355 113.5344 55.8441 31.1348 175.5450 13 R 4.3685 8.3612 120.3324 57.2647 36.4707 173.4453 14 C 4.4977 8.8442 115.5966 59.1446 34.6882 173.2498 15 A 3.7991 8.6037 124.6537 51.4729 17.0900 177.5944 16 A 3.9833 8.3201 116.7660 54.1186 18.1193 179.0983 17 C 3.9576 7.4625 114.7004 62.9029 28.3929 174.7537 18 A 3.8333 7.6711 123.3497 54.0852 17.5893 178.6088 19 S 4.5085 7.6466 113.4527 59.4599 62.6990 176.2361 20 S 4.0979 7.9642 115.5597 60.9498 61.9169 175.7242 21 I 3.7412 7.9361 123.2287 64.4685 36.9593 177.6991 22 E 3.8662 8.0426 118.5928 59.7802 29.2421 179.5862 23 R 3.9638 8.1059 116.7483 58.6504 30.3763 178.0033 24 A 4.1933 7.5713 120.3492 55.0704 18.7326 179.6020 25 I 3.7487 8.2186 118.4111 64.1318 36.9077 178.0896 26 A 4.1814 7.9230 120.8572 54.3301 18.2618 178.6298 27 K 4.2942 7.8403 115.0624 55.6631 33.1915 177.0791 28 V 3.8046 7.9361 121.8109 61.7258 31.9253 175.1653 29 P 4.2990 0.0000 0.0000 65.2909 31.3552 177.1611 30 G 3.9159 8.0099 106.7410 45.1108 0.0000 173.5376 31 V 4.0127 7.7756 121.2403 61.9315 31.4810 176.0381 32 Q 4.5208 8.7652 120.5792 55.1520 30.3304 175.2757 33 S 4.5817 7.2530 110.8884 58.1115 67.1066 174.8544 34 C 5.1961 8.8101 121.6815 58.1381 31.3938 173.5779 35 Q 4.8335 8.9605 121.2104 54.5718 33.2212 173.9452 36 V 4.7329 8.6615 123.1648 59.9587 34.6473 175.2679 37 N 4.8188 9.1119 122.8427 51.2028 39.7415 174.6880 38 F 5.1925 8.5019 132.6907 57.4544 39.5670 175.5377 39 A 4.6164 8.0286 120.2188 52.3214 24.6111 177.4556 40 L 4.5885 8.1963 115.7340 54.4961 42.7831 177.9338 41 E 3.9863 8.4036 115.6968 56.4269 28.6938 174.3723 42 Q 4.8490 7.6833 117.2144 55.9615 30.2756 175.0066 43 A 5.3530 8.9533 122.4299 50.1167 22.8660 175.5392 44 V 4.8290 8.9044 119.1130 59.9105 34.5091 174.9588 45 V 5.1201 8.9798 124.6376 61.1969 35.3942 172.8487 46 S 5.4069 8.7098 122.6769 56.3272 64.1943 174.4685 47 Y 5.2473 8.2442 127.6364 55.9031 37.5763 174.8066 48 H 4.9317 8.1881 116.4881 55.4109 33.6338 172.5112 49 G 4.2600 8.0662 116.8900 44.6201 0.0000 174.4651 50 E 3.9861 9.2844 121.7935 59.2415 29.0457 176.1396 51 T 4.4419 8.1739 111.7757 61.1396 70.6657 171.6447 52 T 4.6007 8.2535 119.7003 61.3830 68.9391 173.0369 53 P 4.6652 0.0000 0.0000 61.3387 33.0569 176.8048 54 Q 4.0291 8.4479 119.5645 58.7153 28.9718 178.2463 55 I 3.6537 7.8619 120.5907 64.2893 36.7672 177.4996 56 L 3.5251 7.4577 120.2200 58.7914 40.1375 179.1096 57 T 4.2246 7.9838 116.0028 65.6653 69.0098 176.2836 58 D 4.3149 8.1980 119.6564 57.5218 41.0958 177.8893 59 A 4.2624 7.8507 118.2406 53.4435 18.7566 177.9294 60 V 4.1087 8.2682 116.5420 64.4292 32.7211 177.8939 61 E 4.2051 8.5363 118.6978 58.7100 29.4153 178.9988 62 R 3.7590 7.8305 114.0224 58.5081 29.2233 176.9186 63 A 4.0481 7.8849 119.7626 51.8296 19.5425 178.0018 64 G 3.7847 8.4291 104.0947 45.1120 0.0000 172.7616 65 Y 5.3789 7.4724 116.2425 56.4695 41.8747 174.2219 66 H 5.2345 9.2246 118.3620 54.0089 32.3304 173.2278 67 A 4.8500 8.4565 123.1264 51.3454 19.6275 176.9561 68 R 4.7599 9.0468 118.2022 54.1562 33.6710 174.9044 69 V 4.1548 8.3805 114.1139 61.1805 32.2745 175.9215 70 L 4.4631 8.4185 125.6207 54.9579 41.6555 176.0149 71 K 4.4621 8.0114 119.7961 55.8354 35.9897 172.5320 72 Q 4.4353 9.4328 120.1952 55.2952 29.7625 174.5709 73 Q 4.3080 5.7400 118.8018 55.3311 31.2189 171.7751 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 8.30 4.29 0.00 2.04 2.25 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 2.51 2.50 0.00 2 A 8.35 3.95 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 3 Q 8.92 4.51 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.24 0.00 4 T 8.23 4.64 4.28 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 1.23 0.00 0.00 5 I 8.96 4.36 2.13 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 1.56 0.83 1.00 0.00 0.00 6 N 8.66 5.61 0.00 2.67 2.79 0.00 0.00 6.03 7.80 0.00 0.00 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 L 8.89 4.55 0.00 1.87 1.81 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.97 4.98 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 9 L 8.68 4.98 0.00 1.73 1.56 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.64 4.57 0.00 2.07 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 2.27 2.26 0.00 11 G 9.05 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 6.14 2.55 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 13 R 8.36 4.37 0.00 1.82 1.99 0.00 3.38 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 14 C 8.84 4.50 0.00 3.01 2.90 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 0.00 0.00 0.00 15 A 8.60 3.80 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.46 3.96 0.00 3.16 2.70 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 0.00 0.00 0.00 0.00 18 A 7.67 3.83 -0.01 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 0.00 0.00 19 S 7.65 4.51 0.00 3.84 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 20 S 7.96 4.10 0.00 4.07 3.79 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 21 I 7.94 3.74 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.66 0.95 0.00 0.00 22 E 8.04 3.87 0.00 2.09 1.95 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 2.32 2.31 0.00 23 R 8.11 3.96 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 24 A 7.57 4.19 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 25 I 8.22 3.75 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.87 0.00 0.00 26 A 7.92 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.29 0.00 1.88 1.87 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 28 V 7.94 3.80 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 1.05 0.00 0.00 1.02 0.00 0.00 29 P 0.00 4.30 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 30 G 8.01 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.78 4.01 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 32 Q 8.77 4.52 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 33 S 7.25 4.58 0.00 3.72 3.71 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 34 C 8.81 5.20 0.00 2.73 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 35 Q 8.96 4.83 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 36 V 8.66 4.73 2.02 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 0.76 0.00 0.00 0.93 0.00 0.00 37 N 9.11 4.82 0.00 2.81 2.75 0.00 0.00 7.07 7.30 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 38 F 8.50 5.19 0.00 2.81 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 39 A 8.03 4.62 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 L 8.20 4.59 0.00 1.71 1.76 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.40 3.99 0.00 2.29 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 0.00 2.19 2.22 0.00 42 Q 7.68 4.85 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 43 A 8.95 5.35 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 44 V 8.90 4.83 2.07 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 0.80 0.00 0.00 0.97 0.00 0.00 45 V 8.98 5.12 0.89 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 0.72 0.00 0.00 0.54 0.00 0.00 46 S 8.71 5.41 0.00 4.09 3.84 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 47 Y 8.24 5.25 0.00 2.95 2.67 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 0.00 0.00 0.00 0.00 48 H 8.19 4.93 0.00 3.12 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.07 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 0.00 0.00 0.00 0.00 50 E 9.28 3.99 0.00 2.08 2.14 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 2.28 2.28 0.00 51 T 8.17 4.44 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 1.20 0.00 0.00 52 T 8.25 4.60 4.17 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 1.10 0.00 0.00 53 P 0.00 4.67 0.00 2.16 2.12 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 54 Q 8.45 4.03 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 55 I 7.86 3.65 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.91 0.00 0.00 56 L 7.46 3.53 0.00 0.88 1.38 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.98 4.22 4.32 0.00 0.00 0.00 0.00 0.00 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 58 D 8.20 4.31 0.00 2.74 2.70 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 0.00 0.00 0.00 0.00 59 A 7.85 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.27 4.11 2.20 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 1.05 0.00 0.00 1.09 0.00 0.00 61 E 8.54 4.21 0.00 2.17 2.01 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 2.61 2.21 0.00 62 R 7.83 3.76 0.00 1.88 2.09 0.00 3.19 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 63 A 7.88 4.05 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 64 G 8.43 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 65 Y 7.47 5.38 0.00 2.88 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 66 H 9.22 5.23 0.00 3.13 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.46 4.85 1.25 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 0.00 0.00 0.00 68 R 9.05 4.76 0.00 1.83 2.00 0.00 2.79 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 69 V 8.38 4.15 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 0.69 0.00 0.00 0.94 0.00 0.00 70 L 8.42 4.46 0.00 1.85 1.71 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.01 4.46 0.00 1.68 1.66 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.35 7.81 72 Q 9.43 4.44 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 73 Q 5.74 4.31 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00