NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4395 8.1627 118.3254 55.2658 33.5475 173.3835 2 Q 4.7543 8.2422 121.1397 53.0441 30.9140 172.8029 3 I 4.7044 9.0555 119.8615 59.0144 42.2174 173.4041 4 F 5.2812 8.7646 121.3559 55.7197 41.9605 174.8079 5 V 4.8918 9.2578 122.8674 61.0939 34.0675 174.2432 6 K 5.2247 9.0867 127.6997 54.8392 35.4759 176.0692 7 T 4.9915 8.7159 114.7942 59.8510 70.7822 175.7219 8 L 4.2213 8.5795 121.2862 56.8605 41.9631 178.0526 9 T 4.2191 7.8794 107.5891 61.5908 68.9891 175.3740 10 G 3.9090 8.0768 109.8570 45.1707 0.0000 173.1613 11 K 4.4118 8.1583 121.8168 55.5465 33.7503 175.4303 12 T 5.0590 8.5169 123.4739 61.7922 70.9294 173.1425 13 I 4.5940 9.2718 127.5403 59.3444 40.5742 173.9915 14 T 4.9396 8.5607 119.4693 60.2611 70.3225 173.8243 15 L 4.8003 8.6577 125.8396 52.6255 45.7277 175.0266 16 E 4.8683 8.6294 123.0417 55.2825 30.3873 175.3775 17 V 4.7253 8.8404 119.7000 59.9279 36.3862 174.4127 18 E 4.6995 9.4056 120.8781 53.9437 32.1648 175.9505 19 P 4.1535 0.0000 0.0000 65.7940 31.5295 178.3492 20 S 4.3834 7.8870 109.8948 59.1768 63.7577 174.1300 21 D 4.4155 8.1588 123.8182 54.5191 41.2271 176.3837 22 T 4.7198 8.2350 114.0779 61.1193 71.2160 175.8353 23 I 3.7011 8.4669 122.5720 64.5101 36.9708 178.3285 24 E 3.9207 8.3874 120.1623 59.4964 29.4776 178.6698 25 N 4.3081 8.1423 116.4547 56.2168 38.5656 177.5939 26 V 3.5521 7.7093 119.6441 65.9448 31.5783 178.0759 27 K 4.3837 8.5998 119.6540 58.9727 31.8396 179.1051 28 A 3.9843 8.2586 120.9951 55.1006 18.3928 179.8861 29 K 3.9430 7.9698 116.9503 59.5497 32.0864 179.7414 30 I 3.7417 7.9331 120.2754 64.2643 36.9278 178.1763 31 Q 4.2448 8.2561 122.0349 58.8388 28.6603 178.1480 32 D 4.3193 8.0804 118.9017 57.0993 40.9064 178.2105 33 K 4.1874 7.8281 118.6960 58.2008 32.5301 177.6183 34 E 4.6639 8.5897 115.5449 54.8381 30.9279 176.7426 35 G 3.8628 8.0952 107.0178 46.0510 0.0000 173.3041 36 I 4.1920 7.4085 121.0106 58.8616 38.1939 173.7374 37 P 4.4257 0.0000 0.0000 61.8825 32.1141 175.4739 38 P 4.2741 0.0000 0.0000 65.8165 31.3619 178.0837 39 D 4.5046 8.0800 115.3945 55.3022 39.6018 176.6184 40 Q 4.4002 8.1030 118.4231 56.0421 29.7603 174.6855 41 Q 5.0094 7.8730 118.4514 54.5217 31.0985 174.8717 42 R 4.8738 8.9764 121.8076 54.4296 33.7884 174.3564 43 L 5.1534 8.5330 123.3352 53.1860 44.6376 175.4380 44 I 5.1480 8.7797 123.0792 59.6358 41.2169 174.3048 45 F 5.0620 8.9385 127.2084 57.1371 43.3015 173.9505 46 A 3.4515 8.7120 126.0498 53.1590 15.9202 178.4207 47 G 3.9101 8.3416 105.7125 46.9937 0.0000 174.3593 48 K 4.5760 7.5817 119.4604 53.9861 34.4425 175.2470 49 Q 4.5566 8.4840 124.3726 56.2725 29.4759 175.5822 50 L 4.3030 8.7981 126.9274 54.2072 43.2281 176.1484 51 E 4.4289 9.2977 121.9395 55.5444 30.6678 177.5756 52 D 4.3722 9.1140 123.9996 57.2917 41.0935 178.2454 53 G 3.9182 7.9995 104.6496 45.7657 0.0000 173.4919 54 R 4.5050 7.7559 119.5632 55.0046 31.9593 175.5393 55 T 5.0163 8.4733 109.8304 59.9766 71.2031 175.8270 56 L 4.1289 8.6086 122.9107 58.2489 41.4855 180.2362 57 S 4.1365 8.1953 113.9330 61.5445 62.6136 176.1649 58 D 4.2417 7.8841 121.6378 56.6963 40.5256 177.3637 59 Y 4.5601 7.1826 112.8564 56.4592 38.8936 175.0494 60 N 4.1217 8.1830 116.9487 54.1581 36.8485 175.0146 61 I 3.7275 7.7146 118.1458 60.5637 37.9383 176.2381 62 Q 4.6207 8.1951 124.4212 53.0064 31.4982 174.8161 63 K 3.9470 8.3557 117.6621 58.9319 32.5163 176.6080 64 E 3.8370 9.3448 119.8825 57.1330 27.8339 174.9116 65 S 4.5927 7.8499 115.5543 59.0763 64.3232 173.1242 66 T 5.1641 8.7015 118.3833 62.1234 70.2441 173.9979 67 L 5.0906 9.1576 126.4835 53.6213 44.8855 175.0979 68 H 5.3793 8.8926 117.8638 54.1537 31.4329 173.4176 69 L 5.1786 8.9547 123.8348 53.3526 44.5936 175.3664 70 V 4.6013 8.8583 125.2621 61.1080 35.1914 173.9285 71 L 5.2306 8.4827 124.0723 53.1285 44.4132 176.1641 72 R 4.4437 8.7531 121.9684 54.6579 31.5078 176.1156 73 L 4.4308 8.2915 126.6252 52.4845 43.1450 175.2236 74 R 4.0427 8.4478 127.0348 58.1567 29.9817 176.8116 75 G 3.9777 9.2254 114.4431 45.1528 0.0000 172.9641 76 G 3.7167 8.0765 113.8904 45.5617 0.0000 173.1125 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 8.16 4.44 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 2 Q 8.24 4.75 0.00 2.10 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.68 2.15 0.00 3 I 9.06 4.70 1.75 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 1.10 0.50 0.79 0.00 0.00 4 F 8.76 5.28 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.26 4.89 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.09 5.22 0.00 1.56 1.65 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 7 T 8.72 4.99 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 8 L 8.58 4.22 0.00 1.65 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.22 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 1.22 0.00 0.00 10 G 8.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.41 0.00 1.92 1.69 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.47 7.81 12 T 8.52 5.06 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 1.29 0.00 0.00 13 I 9.27 4.59 1.89 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 1.30 1.47 0.98 0.00 0.00 14 T 8.56 4.94 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 1.47 0.00 0.00 15 L 8.66 4.80 0.00 1.49 1.50 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.87 0.00 1.91 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 2.20 2.35 0.00 17 V 8.84 4.73 2.03 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 0.69 0.00 0.00 0.91 0.00 0.00 18 E 9.41 4.70 0.00 1.78 1.79 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 2.20 2.37 0.00 19 P 0.00 4.15 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.89 4.38 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.42 0.00 2.89 2.62 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 22 T 8.23 4.72 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 23 I 8.47 3.70 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.08 0.92 0.00 0.00 24 E 8.39 3.92 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 25 N 8.14 4.31 0.00 2.97 2.84 0.00 0.00 6.67 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 26 V 7.71 3.55 2.22 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.60 4.38 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.49 7.81 28 A 8.26 3.98 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 29 K 7.97 3.94 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.93 3.74 2.14 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 1.41 0.72 0.95 0.00 0.00 31 Q 8.26 4.24 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.08 4.32 0.00 2.82 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 33 K 7.83 4.19 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 E 8.59 4.66 0.00 2.02 1.93 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 2.23 2.43 0.00 35 G 8.10 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 36 I 7.41 4.19 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 1.42 1.32 0.92 0.00 0.00 37 P 0.00 4.43 0.00 2.35 1.97 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.11 0.00 38 P 0.00 4.27 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.08 4.50 0.00 2.77 2.80 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 0.00 0.00 0.00 0.00 40 Q 8.10 4.40 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 41 Q 7.87 5.01 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 42 R 8.98 4.87 0.00 1.67 1.79 0.00 3.41 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.53 5.15 0.00 1.56 1.53 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.78 5.15 1.92 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 1.28 1.35 0.91 0.00 0.00 45 F 8.94 5.06 0.00 2.95 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 46 A 8.71 3.45 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 47 G 8.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.58 0.00 1.80 1.70 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 49 Q 8.48 4.56 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.80 4.30 0.00 1.40 1.29 0.67 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.30 4.43 0.00 2.02 1.93 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 2.45 2.52 0.00 52 D 9.11 4.37 0.00 2.76 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 53 G 8.00 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 54 R 7.76 4.50 0.00 2.01 1.72 0.00 3.17 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 55 T 8.47 5.02 4.45 0.00 0.00 0.00 0.00 0.00 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 56 L 8.61 4.13 0.00 1.86 1.71 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.20 4.14 0.00 4.03 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 0.00 58 D 7.88 4.24 0.00 2.52 2.35 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 59 Y 7.18 4.56 0.00 3.07 2.99 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 0.00 0.00 0.00 60 N 8.18 4.12 0.00 2.89 2.92 0.00 0.00 6.91 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.71 3.73 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.56 0.00 0.00 62 Q 8.20 4.62 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 63 K 8.36 3.95 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.34 3.84 0.00 2.18 2.35 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 2.40 2.47 0.00 65 S 7.85 4.59 0.00 3.79 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 66 T 8.70 5.16 4.35 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 1.19 0.00 0.00 67 L 9.16 5.09 0.00 1.61 1.60 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.89 5.38 0.00 3.17 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.95 5.18 0.00 1.72 1.50 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.86 4.60 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 1.02 0.00 0.00 0.94 0.00 0.00 71 L 8.48 5.23 0.00 1.55 1.54 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.75 4.44 0.00 1.64 1.87 0.00 3.10 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 73 L 8.29 4.43 0.00 1.67 1.52 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.45 4.04 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 75 G 9.23 3.98 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 0.00 0.00 0.00 76 G 8.08 3.72 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 0.00 0.00 0.00