NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3245 8.3049 120.3258 53.4361 34.3257 176.5542 2 E 3.5882 7.9114 117.2401 55.3100 28.4561 171.1909 3 L 4.6709 8.8378 119.5201 54.3601 44.8682 175.4114 4 H 6.1680 8.3622 118.4440 53.3016 31.9023 173.7944 5 C 4.4395 8.5351 118.2107 58.6996 29.4632 172.0688 6 P 4.5578 0.0000 0.0000 62.7243 30.8411 176.0901 7 Q 4.5838 7.1652 121.1285 57.5383 36.9800 174.0690 8 C 4.3484 7.6533 117.1019 56.2774 28.9861 173.6860 9 Q 4.1166 7.4881 118.4034 57.4303 29.5139 177.3172 10 H 4.5293 8.0992 120.5631 54.9047 33.2054 172.9146 11 V 4.2531 8.4349 118.8788 63.5422 32.6854 175.4073 12 L 4.6150 8.5669 128.2626 53.6084 42.7691 176.3585 13 D 4.5925 9.2009 125.9544 53.6972 41.3370 174.2110 14 Q 4.9650 8.4029 124.2936 54.2788 30.0724 174.8129 15 D 4.7951 9.0782 125.2755 52.9251 43.1238 174.6196 16 N 4.3843 8.8958 116.9257 53.9091 36.6969 174.5781 17 G 3.5264 8.1967 111.0393 46.0180 0.0000 170.8194 18 H 5.0585 7.6411 115.1190 53.6810 33.5124 172.6525 19 A 4.9172 8.8635 123.5243 50.4148 21.6392 174.7970 20 R 4.6137 8.7416 121.1503 56.0458 32.4054 176.4535 21 C 4.7004 9.1561 122.3348 59.3670 28.5032 172.9616 22 R 4.2485 8.2298 121.5705 57.2288 29.8809 178.6803 23 S 4.1019 8.9773 116.6954 59.3422 61.8879 171.2017 24 C 4.2369 7.7316 116.8524 62.5222 28.4654 174.7830 25 G 4.0874 8.4493 106.1707 45.3203 0.0000 173.7822 26 E 4.2412 8.1245 120.2573 56.2065 31.1690 175.0954 27 F 5.2667 8.7386 126.0755 56.4617 41.7994 174.2860 28 I 4.2954 7.9107 126.0319 59.2360 40.9116 174.0150 29 E 4.6454 8.2823 125.9768 54.5743 32.4874 174.2672 30 M 5.1291 8.3223 123.8232 53.4517 35.8103 175.1714 31 K 4.5064 9.0056 121.1394 55.4678 34.5068 176.1012 32 A 4.5397 8.7136 126.3130 50.9670 19.6012 175.6977 33 L 5.0123 8.4522 121.7156 53.6946 44.9835 176.1066 34 C 4.3475 8.5340 123.0489 58.2896 31.9932 172.4667 35 P 3.8916 0.0000 0.0000 65.6638 30.9341 176.8046 36 D 4.6153 7.7783 113.7291 53.7062 39.7164 176.0867 37 C 4.4363 7.3986 116.8405 60.7793 30.5935 175.1785 38 H 4.4266 8.8800 113.7120 56.3721 26.6637 174.2932 39 Q 4.8629 7.1625 118.6289 53.1904 31.3201 173.5174 40 P 4.8936 0.0000 0.0000 63.2035 31.9931 175.9153 41 L 4.5023 8.5842 122.2436 54.2569 43.1858 176.5195 42 Q 4.2099 9.3827 124.2651 55.6291 29.9876 175.4642 43 V 4.1170 8.5178 127.8825 62.6662 31.7135 175.4852 44 L 4.2886 9.1244 130.1518 53.8872 42.3368 176.4164 45 K 4.5757 8.5589 124.4379 54.4653 33.0868 176.8756 46 A 4.5204 8.6719 130.4857 51.9283 18.9801 175.7320 47 C 3.9037 7.8807 121.7720 61.7090 31.4368 174.4149 48 G 3.6652 7.9867 108.7337 47.5635 0.0000 173.4062 49 A 4.6895 7.6730 122.6094 49.9323 21.1045 175.3835 50 V 4.7634 8.0494 119.8289 61.2774 34.1706 174.4837 51 D 4.8523 8.9308 127.8981 52.9411 43.9192 175.3271 52 Y 5.0950 8.4908 119.0235 56.6052 40.1953 174.1195 53 F 5.0423 9.0629 128.0360 56.6181 41.7030 174.7730 54 C 4.3495 8.4342 127.2980 58.7653 31.0405 171.5634 55 Q 4.2387 8.3787 125.4945 56.4935 27.4469 174.8453 56 H 4.9366 8.6156 132.8811 56.7680 30.4751 175.0640 57 G 4.1286 6.8435 108.3148 46.8374 0.0000 173.4786 58 H 4.7706 7.9008 112.8447 55.1790 32.7098 173.1115 59 G 3.9798 7.6361 103.8710 44.0790 0.0000 171.7691 60 L 5.1318 8.5008 120.8286 53.6943 43.3837 176.3671 61 I 4.5522 8.8309 123.8285 59.5194 39.6863 175.6918 62 S 4.7366 8.6437 121.5048 57.3832 63.7788 174.6892 63 K 3.9269 8.8415 121.6509 58.1378 32.5481 177.5575 64 K 4.3985 7.8452 118.0405 56.5584 32.5695 176.5537 65 R 4.4334 7.7593 118.4781 56.0421 32.0754 176.2086 66 V 3.5377 7.3776 116.2930 61.6158 32.4016 175.3561 67 E 4.2879 8.5441 123.7147 54.7561 31.0132 174.5813 68 F 5.8426 8.4338 126.4130 56.0446 40.0785 175.9034 69 V 4.5210 8.3176 116.3468 58.9209 35.4340 174.6290 70 L 4.3026 8.4406 124.3867 55.1446 42.5244 176.5235 71 A 4.3748 8.2277 127.1685 52.0785 18.6099 176.6562 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 4.32 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 E 7.91 3.59 0.00 2.18 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 2.21 2.45 0.00 3 L 8.84 4.67 0.00 1.57 1.54 0.98 0.96 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 4 H 8.36 6.17 0.00 2.99 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.54 4.44 0.00 2.94 2.85 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 0.00 0.00 0.00 6 P 0.00 4.56 0.00 2.17 2.13 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 7 Q 7.17 4.58 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.59 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 8 C 7.65 4.35 0.00 3.14 2.97 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 9 Q 7.49 4.12 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.70 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 10 H 8.10 4.53 0.00 3.16 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.43 4.25 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 0.96 0.00 0.00 1.00 0.00 0.00 12 L 8.57 4.61 0.00 1.62 1.58 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.20 4.59 0.00 2.77 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 14 Q 8.40 4.96 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.44 0.00 0.00 0.00 0.00 0.00 2.20 2.47 0.00 15 D 9.08 4.80 0.00 2.58 2.44 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 16 N 8.90 4.38 0.00 3.00 2.96 0.00 0.00 5.89 7.04 0.00 0.00 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 8.20 3.53 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 0.00 0.00 0.00 18 H 7.64 5.06 0.00 3.11 3.18 0.00 5.76 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 19 A 8.86 4.92 1.09 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 20 R 8.74 4.61 0.00 1.86 1.95 0.00 3.29 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.80 0.00 21 C 9.16 4.70 0.00 3.15 2.92 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 22 R 8.23 4.25 0.00 1.73 2.07 0.00 3.05 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 23 S 8.98 4.10 0.00 3.92 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 24 C 7.73 4.24 0.00 3.11 2.97 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 25 G 8.45 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 26 E 8.12 4.24 0.00 2.13 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 2.38 2.39 0.00 27 F 8.74 5.27 0.00 2.98 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 28 I 7.91 4.30 1.86 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 1.01 0.56 0.76 0.00 0.00 29 E 8.28 4.65 0.00 1.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 30 M 8.32 5.13 0.00 1.96 1.63 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 31 K 9.01 4.51 0.00 1.74 1.75 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 32 A 8.71 4.54 1.21 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 0.00 0.00 0.00 0.00 0.00 33 L 8.45 5.01 0.00 1.60 1.51 1.00 1.00 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 34 C 8.53 4.35 0.00 2.90 2.73 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 35 P 0.00 3.89 0.00 1.95 2.01 0.00 3.59 0.00 0.00 3.71 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 36 D 7.78 4.62 0.00 2.61 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 37 C 7.40 4.44 0.00 2.98 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 38 H 8.88 4.43 0.00 3.20 3.40 0.00 5.82 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.16 4.86 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 40 P 0.00 4.89 0.00 2.11 2.09 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 41 L 8.58 4.50 0.00 1.67 1.78 0.84 1.09 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 42 Q 9.38 4.21 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 43 V 8.52 4.12 2.12 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 0.79 0.00 0.00 1.08 0.00 0.00 44 L 9.12 4.29 0.00 1.59 1.55 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.56 4.58 0.00 1.61 1.74 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.57 7.81 46 A 8.67 4.52 1.26 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 47 C 7.88 3.90 0.00 3.11 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 48 G 7.99 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 0.00 0.00 0.00 49 A 7.67 4.69 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 50 V 8.05 4.76 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 0.57 0.00 0.00 0.88 0.00 0.00 51 D 8.93 4.85 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.49 5.09 0.00 3.22 2.89 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 0.00 0.00 0.00 0.00 53 F 9.06 5.04 0.00 3.11 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 54 C 8.43 4.35 0.00 2.87 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 55 Q 8.38 4.24 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 56 H 8.62 4.94 0.00 3.13 3.18 0.00 5.73 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 57 G 6.84 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 58 H 7.90 4.77 0.00 2.99 3.21 0.00 5.70 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 59 G 7.64 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 60 L 8.50 5.13 0.00 1.61 1.70 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.83 4.55 1.86 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 1.07 0.81 0.81 0.00 0.00 62 S 8.64 4.74 0.00 3.95 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 63 K 8.84 3.93 0.00 2.02 1.82 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.55 7.81 64 K 7.85 4.40 0.00 1.77 1.88 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.37 7.81 65 R 7.76 4.43 0.00 1.67 1.92 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 66 V 7.38 3.54 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.39 0.00 0.00 67 E 8.54 4.29 0.00 1.92 1.84 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 2.18 2.21 0.00 68 F 8.43 5.84 0.00 2.96 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 69 V 8.32 4.52 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 0.78 0.00 0.00 0.96 0.00 0.00 70 L 8.44 4.30 0.00 1.65 1.57 0.90 0.95 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 71 A 8.23 4.37 1.23 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 0.00 0.00 0.00