NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2952 8.2644 123.5832 52.0718 20.6966 177.1942 3 E 3.8548 7.9362 116.8792 56.0311 30.2271 173.4810 4 I 4.6869 8.9749 127.3976 59.9402 39.7012 174.7090 5 K 4.5577 9.3112 125.8926 54.6677 36.5098 174.9442 6 H 4.7670 8.4618 122.2941 54.8767 31.6917 172.4581 7 Y 5.2227 8.3106 124.0380 56.8161 41.0083 174.9610 8 Q 5.0421 8.5233 121.8366 55.0689 32.8884 173.6645 9 F 5.1892 9.6285 125.1794 55.8253 42.7794 174.3369 10 N 5.0136 9.2414 120.4377 52.3293 40.2400 173.3942 11 V 4.7062 8.3060 126.6946 61.0533 33.9246 176.3360 12 V 3.9783 8.9914 128.8329 62.3457 30.2880 173.4159 13 M 4.6771 8.3014 124.1010 53.5323 34.1716 175.5717 14 T 4.3429 8.6995 120.3267 64.4306 70.3080 173.7276 15 C 4.9942 7.4715 114.0768 55.3963 32.9682 174.3859 16 S 4.4752 7.9988 114.7395 60.4648 62.2703 176.5360 17 G 3.5456 8.0246 109.6827 47.9893 0.0000 175.1825 18 C 4.0929 8.1018 119.2483 62.6419 28.0401 176.2802 19 S 4.3255 8.0436 115.4670 61.1465 62.8915 176.7161 20 G 3.5760 8.3753 109.2367 47.3753 0.0000 175.6395 21 A 3.9869 8.2853 123.3217 54.9658 18.5507 179.8080 22 V 3.4845 7.5590 116.5378 66.0485 31.5286 177.5937 23 N 4.2586 8.3265 116.8829 56.7454 38.6587 176.6499 24 K 3.9485 8.0507 120.8235 59.6925 32.0298 179.1469 25 V 3.6795 7.3100 111.2259 64.1391 31.6944 178.2889 26 L 4.1567 7.8485 118.5217 57.9305 41.4263 179.5291 27 T 3.9145 8.3913 116.2799 66.5840 68.1534 176.7553 28 K 4.0446 7.6886 119.4291 59.2056 32.4267 178.7602 29 L 4.2498 7.8695 118.1560 55.4211 41.7541 176.9276 30 E 4.5767 7.7576 118.9290 55.6044 29.7650 175.1992 31 P 4.6445 0.0000 0.0000 63.2328 32.3674 176.6241 32 D 4.3958 8.1018 119.7335 56.6368 41.1062 176.0889 33 V 4.4561 7.6662 120.0919 61.8340 32.1510 176.0287 34 S 4.4740 8.8235 122.6519 59.9156 64.3584 174.6354 35 K 4.6552 7.8958 120.7519 55.0370 35.6197 174.5446 36 I 5.0618 8.4990 127.1140 59.6450 40.3623 174.4116 37 D 4.9284 9.3406 126.7716 52.7547 43.5931 174.8048 38 I 4.8575 8.4611 124.4577 59.5337 39.8083 175.5607 39 S 4.4591 9.1389 121.2411 56.3059 64.0659 174.1112 40 L 3.9976 8.8247 130.1164 58.2321 42.2722 178.1145 41 E 4.1210 8.3403 116.6549 59.5196 29.3533 178.2691 42 K 4.2002 7.9600 114.6378 56.3219 32.7301 176.8307 43 Q 3.5188 7.7022 117.2283 56.9967 27.0962 172.7649 44 L 5.2556 7.7334 115.3708 53.1054 45.1604 176.4291 45 V 4.8623 8.5078 121.1386 61.4945 34.4351 173.7939 46 D 5.3660 9.2700 129.2608 53.3011 42.7849 176.0246 47 V 4.8879 9.1583 122.6756 61.3751 35.1188 173.4962 48 Y 5.0111 8.9640 125.5747 56.7365 39.9738 174.7369 49 T 5.1162 8.9957 118.3224 61.6485 71.2597 173.6594 50 T 4.8295 8.3906 114.2375 61.2285 69.6839 175.1748 51 L 4.3757 8.1666 122.9082 53.3705 42.9518 174.7830 52 P 4.6826 0.0000 0.0000 62.3159 32.5502 176.8699 53 Y 3.2749 8.9220 123.0157 61.2223 38.4633 178.8919 54 D 4.2853 8.1705 118.7207 56.9835 41.0050 178.4069 55 F 4.1342 8.2344 121.5968 61.0601 39.4228 177.4127 56 I 3.6057 7.8743 119.0311 64.3386 37.0446 177.7451 57 L 3.4414 7.3256 121.3110 58.1709 41.8032 178.7872 58 E 3.7441 7.7270 118.7708 59.2472 29.3717 178.8115 59 K 3.7139 7.1480 116.6645 59.3196 32.2785 179.2568 60 I 3.6897 7.3388 119.8402 64.3921 37.0190 178.6418 61 K 4.1209 7.8378 119.4950 59.0925 31.6481 178.9792 62 K 4.1205 7.8795 117.4159 58.7129 32.4658 178.6930 63 T 4.0258 7.6205 111.3959 63.2279 68.7341 175.3804 64 G 3.9176 8.2486 109.1718 45.0750 0.0000 172.9162 65 K 4.4482 7.4066 118.2363 54.5674 33.8006 175.8718 66 E 4.2986 8.4702 123.5099 55.7873 31.2201 174.9262 67 V 4.7231 8.2496 126.1051 61.7273 32.4167 175.5179 68 R 4.3296 9.0460 127.7035 58.7330 31.0501 176.3270 69 S 4.5551 7.3504 110.8588 57.5750 65.9209 174.3899 70 G 4.5143 8.1301 107.0187 45.9615 0.0000 172.5316 71 K 4.5473 8.1616 124.0981 54.7310 36.5433 174.1130 72 Q 4.9844 8.3834 124.3674 54.1213 31.1223 174.9300 73 L 4.3149 8.8013 127.3218 55.1428 41.8743 175.8175 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 2 A 8.26 4.30 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.85 0.00 2.11 1.85 0.00 0.00 0.00 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 2.41 0.00 4 I 8.97 4.69 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 1.36 0.72 0.96 0.00 0.00 5 K 9.31 4.56 0.00 1.28 1.13 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.32 7.81 6 H 8.46 4.77 0.00 2.80 2.96 0.00 5.67 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.31 5.22 0.00 3.11 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 8 Q 8.52 5.04 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 9 F 9.63 5.19 0.00 3.02 2.98 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 10 N 9.24 5.01 0.00 2.77 2.75 0.00 0.00 6.92 7.68 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 11 V 8.31 4.71 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 0.84 0.00 0.00 0.98 0.00 0.00 12 V 8.99 3.98 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 0.80 0.00 0.00 0.94 0.00 0.00 13 M 8.30 4.68 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 14 T 8.70 4.34 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 1.21 0.00 0.00 15 C 7.47 4.99 0.00 3.04 3.02 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 0.00 0.00 0.00 0.00 16 S 8.00 4.48 0.00 4.07 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 17 G 8.02 3.55 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 0.00 0.00 0.00 18 C 8.10 4.09 0.00 3.16 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 S 8.04 4.33 0.00 4.03 4.12 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 20 G 8.38 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.99 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 22 V 7.56 3.48 2.19 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 0.94 0.00 0.00 0.93 0.00 0.00 23 N 8.33 4.26 0.00 2.99 2.95 0.00 0.00 6.88 6.77 0.00 0.00 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 K 8.05 3.95 0.00 2.07 1.88 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 25 V 7.31 3.68 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 0.81 0.00 0.00 0.95 0.00 0.00 26 L 7.85 4.16 0.00 1.84 1.73 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.39 3.91 4.43 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 1.27 0.00 0.00 28 K 7.69 4.04 0.00 1.87 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 29 L 7.87 4.25 0.00 1.86 1.81 1.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.76 4.58 0.00 2.09 1.91 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 2.62 2.33 0.00 31 P 0.00 4.64 0.00 2.18 2.16 0.00 3.78 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 1.95 1.98 0.00 32 D 8.10 4.40 0.00 2.78 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 33 V 7.67 4.46 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 1.16 0.00 0.00 1.03 0.00 0.00 34 S 8.82 4.47 0.00 3.89 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 35 K 7.90 4.66 0.00 1.66 1.61 0.00 1.08 0.00 0.00 1.29 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.42 1.39 7.81 36 I 8.50 5.06 1.91 0.00 0.00 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 1.40 0.86 0.95 0.00 0.00 37 D 9.34 4.93 0.00 2.65 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 38 I 8.46 4.86 1.90 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 1.26 0.60 0.93 0.00 0.00 39 S 9.14 4.46 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.00 0.00 1.63 1.70 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.34 4.12 0.00 1.99 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 2.33 2.41 0.00 42 K 7.96 4.20 0.00 1.79 1.87 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.42 7.81 43 Q 7.70 3.52 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 44 L 7.73 5.26 0.00 1.62 1.60 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.51 4.86 2.24 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 1.14 0.00 0.00 0.97 0.00 0.00 46 D 9.27 5.37 0.00 2.77 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 47 V 9.16 4.89 2.41 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 1.20 0.00 0.00 1.08 0.00 0.00 48 Y 8.96 5.01 0.00 2.94 2.82 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 49 T 9.00 5.12 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 50 T 8.39 4.83 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 1.26 0.00 0.00 51 L 8.17 4.38 0.00 1.79 1.61 0.98 0.75 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 52 P 0.00 4.68 0.00 2.30 2.05 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 53 Y 8.92 3.27 0.00 2.11 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.29 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.13 0.00 3.14 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 56 I 7.87 3.61 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.48 0.76 0.00 0.00 57 L 7.33 3.44 0.00 1.47 1.61 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.73 3.74 0.00 1.95 1.65 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 1.98 2.16 0.00 59 K 7.15 3.71 0.00 1.66 1.68 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.28 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.88 1.19 7.81 60 I 7.34 3.69 1.62 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.74 0.00 0.00 61 K 7.84 4.12 0.00 1.85 1.80 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81 62 K 7.88 4.12 0.00 1.84 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.38 7.81 63 T 7.62 4.03 4.20 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 0.00 0.00 0.00 1.24 0.00 0.00 64 G 8.25 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 65 K 7.41 4.45 0.00 1.75 1.72 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.48 7.81 66 E 8.47 4.30 0.00 2.05 1.80 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 2.37 2.31 0.00 67 V 8.25 4.72 2.13 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 1.14 0.00 0.00 0.89 0.00 0.00 68 R 9.05 4.33 0.00 1.75 1.99 0.00 3.27 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 69 S 7.35 4.56 0.00 3.86 3.67 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 70 G 8.13 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.16 4.55 0.00 1.68 1.46 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.28 7.81 72 Q 8.38 4.98 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.69 0.00 73 L 8.80 4.31 0.00 1.46 1.30 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00