NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3026 8.2644 123.5847 51.6375 20.2688 176.6218 3 E 3.8574 8.2290 121.6086 57.5986 30.9874 173.9994 4 I 4.6262 9.1156 129.2312 59.9440 38.1467 175.1384 5 K 4.2234 8.8164 127.4980 56.0781 33.9488 175.9037 6 H 4.6844 8.4851 121.9849 54.7928 31.8321 172.2692 7 Y 5.3321 8.5392 124.2833 56.2796 40.9667 174.7597 8 Q 4.8936 8.6822 123.6997 54.2964 32.5024 173.9486 9 F 5.3144 9.3055 124.4571 55.6809 43.3201 173.7528 10 N 5.1679 9.0285 122.0909 52.7707 39.6826 173.6987 11 V 4.8306 8.1543 126.4823 60.7943 34.0910 175.1726 12 V 4.0204 8.6216 128.8199 63.0716 31.9504 175.5193 13 M 4.6343 9.4528 128.4546 53.9611 34.0672 175.3629 14 T 4.2067 8.4887 114.5341 62.9412 69.9965 173.9171 15 C 4.6520 7.4216 115.9694 55.9627 32.2687 174.6337 16 S 4.4157 8.0726 116.0031 60.7160 62.2253 176.6328 17 G 3.6352 8.0627 109.1782 47.6082 0.0000 175.5295 18 C 4.1572 8.1638 119.3596 62.7644 28.0340 176.0215 19 S 4.2553 8.1935 115.5534 61.5920 62.3239 176.6677 20 G 3.5733 8.2624 108.9342 47.4264 0.0000 175.4918 21 A 3.9809 8.0799 123.1975 54.8356 18.0445 179.9989 22 V 3.4492 7.6350 116.1872 66.0804 31.6807 177.4640 23 N 4.2440 8.3266 117.1981 56.7889 38.4653 176.4044 24 K 3.8716 7.8852 119.3444 59.8660 32.0574 178.9327 25 V 3.7310 7.4776 111.5611 64.1084 31.3658 178.5587 26 L 4.1060 7.6975 119.0163 57.6207 41.3706 179.3386 27 T 3.9492 8.1015 109.9332 64.6145 68.3789 176.1257 28 K 4.2710 7.6521 118.2435 57.5664 32.4308 177.3694 29 L 4.6578 7.6023 118.9214 54.2259 42.2427 176.3365 30 E 4.4771 7.8005 119.1669 56.1269 29.7859 174.6411 31 P 4.8500 0.0000 0.0000 63.4119 32.0297 175.7192 32 D 4.8024 8.2374 116.6480 54.7758 41.0844 175.9090 33 V 4.5901 7.6186 119.4222 61.2746 32.3893 175.2714 34 S 4.4389 8.9962 125.3050 61.2243 63.4877 175.1088 35 K 4.7552 7.8628 118.7968 55.0995 35.3857 174.6283 36 I 5.2782 8.4226 119.0396 59.1886 41.0046 173.9086 37 D 4.9542 9.2708 123.4845 52.6246 44.2166 174.1379 38 I 4.9961 8.5714 126.0556 59.5163 40.1511 174.6746 39 S 4.6224 8.9808 122.3476 56.4284 63.5107 174.8222 40 L 4.1065 8.6743 128.3039 57.7333 41.7343 179.1417 41 E 4.2039 8.1593 116.4116 57.9976 29.5629 177.2294 42 K 4.4856 7.4462 114.6432 54.8793 34.3828 175.7095 43 Q 3.5311 7.6625 116.6050 57.2855 26.9596 172.9415 44 L 5.3321 7.9186 115.7355 52.9125 45.9366 176.7690 45 V 4.8220 8.9995 122.4717 61.3468 34.3910 173.7044 46 D 5.4659 9.4421 128.4090 52.5623 43.5124 175.4688 47 V 4.7690 8.8383 123.2813 61.2974 34.7322 173.5498 48 Y 5.0273 9.0194 126.1207 56.7905 39.8940 174.7162 49 T 5.0647 8.5572 118.2386 61.2747 71.1319 174.0204 50 T 4.6100 8.2191 115.3984 62.0477 69.5285 175.1814 51 L 4.4816 8.0090 122.8051 53.3312 42.9102 175.4015 52 P 4.6687 0.0000 0.0000 62.7137 33.2599 176.5376 53 Y 3.2248 8.7255 121.4138 60.9355 38.5907 178.4279 54 D 4.3007 8.2492 119.3083 56.4822 39.3135 178.2833 55 F 4.3866 8.1467 121.4109 61.1039 39.5621 176.9939 56 I 3.4424 7.6993 119.4238 64.1626 36.8501 178.0546 57 L 3.2930 7.5566 121.1239 57.9947 41.8311 178.7768 58 E 3.8186 7.9645 118.3088 59.4948 29.2081 179.6369 59 K 3.7866 7.4831 116.9630 59.3150 32.2954 179.2692 60 I 3.6814 7.5327 120.1268 64.2415 37.0056 178.6100 61 K 3.9169 8.1013 119.6337 59.2046 31.6443 178.8056 62 K 4.2346 7.6951 116.3139 57.6061 32.0685 178.7200 63 T 3.9844 7.6051 110.8189 62.9403 68.8493 175.6653 64 G 3.9256 8.0850 109.4961 45.0533 0.0000 173.8629 65 K 3.9590 7.2819 119.0746 56.0845 32.4028 176.3429 66 E 3.9722 8.8124 125.7428 56.4053 30.7724 175.4153 67 V 4.4391 8.2713 127.4739 61.7432 31.6816 175.5204 68 R 4.3204 9.1163 129.4676 59.2049 30.7938 176.9692 69 S 4.6724 7.9962 110.7438 58.0991 65.8393 174.7725 70 G 4.6764 8.8822 106.5641 45.6027 0.0000 171.5662 71 K 4.4034 8.6068 118.5849 55.9994 36.4745 173.8394 72 Q 5.0284 8.2783 121.7083 54.4586 30.7071 175.1201 73 L 4.3785 8.5705 125.3199 54.8547 41.8599 176.3317 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 8.23 3.86 0.00 2.17 1.86 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 2.39 2.42 0.00 4 I 9.12 4.63 1.90 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 0.73 0.97 0.00 0.00 5 K 8.82 4.22 0.00 1.40 1.40 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.38 7.81 6 H 8.49 4.68 0.00 3.04 2.99 0.00 5.82 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.54 5.33 0.00 2.90 2.43 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 8 Q 8.68 4.89 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 9 F 9.31 5.31 0.00 2.93 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 10 N 9.03 5.17 0.00 2.91 2.76 0.00 0.00 6.48 7.59 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 11 V 8.15 4.83 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 0.83 0.00 0.00 0.96 0.00 0.00 12 V 8.62 4.02 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 0.79 0.00 0.00 0.98 0.00 0.00 13 M 9.45 4.63 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 14 T 8.49 4.21 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 7.42 4.65 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 16 S 8.07 4.42 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 8.06 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.16 4.16 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 19 S 8.19 4.26 0.00 4.05 4.14 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 0.00 0.00 0.00 20 G 8.26 3.57 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 0.00 0.00 0.00 21 A 8.08 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 22 V 7.64 3.45 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 0.92 0.00 0.00 23 N 8.33 4.24 0.00 2.86 2.97 0.00 0.00 6.91 7.14 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 24 K 7.89 3.87 0.00 1.88 1.97 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 25 V 7.48 3.73 1.97 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 0.82 0.00 0.00 0.90 0.00 0.00 26 L 7.70 4.11 0.00 1.82 1.72 0.93 0.46 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 27 T 8.10 3.95 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 1.30 0.00 0.00 28 K 7.65 4.27 0.00 1.94 1.92 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.63 7.81 29 L 7.60 4.66 0.00 1.88 1.78 0.85 1.05 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 30 E 7.80 4.48 0.00 2.02 1.90 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 2.37 2.35 0.00 31 P 0.00 4.85 0.00 2.18 2.14 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 32 D 8.24 4.80 0.00 2.86 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 33 V 7.62 4.59 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 0.95 0.00 0.00 1.00 0.00 0.00 34 S 9.00 4.44 0.00 3.96 3.89 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 35 K 7.86 4.76 0.00 1.67 1.49 0.00 1.35 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.39 7.81 36 I 8.42 5.28 1.94 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 1.27 0.89 0.98 0.00 0.00 37 D 9.27 4.95 0.00 2.79 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 8.57 5.00 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 1.28 0.84 0.94 0.00 0.00 39 S 8.98 4.62 0.00 3.88 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 40 L 8.67 4.11 0.00 1.76 1.71 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.16 4.20 0.00 1.95 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 0.00 2.32 2.40 0.00 42 K 7.45 4.49 0.00 1.75 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 43 Q 7.66 3.53 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 44 L 7.92 5.33 0.00 1.61 1.56 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.00 4.82 2.27 0.00 0.00 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 0.98 0.00 0.00 46 D 9.44 5.47 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.84 4.77 2.34 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 1.16 0.00 0.00 1.16 0.00 0.00 48 Y 9.02 5.03 0.00 2.90 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 49 T 8.56 5.06 4.30 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 0.00 0.00 0.00 1.26 0.00 0.00 50 T 8.22 4.61 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 1.26 0.00 0.00 51 L 8.01 4.48 0.00 1.93 1.91 1.15 0.86 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 52 P 0.00 4.67 0.00 2.67 2.27 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 53 Y 8.73 3.22 0.00 2.46 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 54 D 8.25 4.30 0.00 2.95 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 55 F 8.15 4.39 0.00 3.08 3.30 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 0.00 0.00 0.00 0.00 56 I 7.70 3.44 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.18 0.93 0.00 0.00 57 L 7.56 3.29 0.00 1.17 1.51 0.79 1.21 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 58 E 7.96 3.82 0.00 2.06 1.90 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 2.28 2.59 0.00 59 K 7.48 3.79 0.00 1.33 1.59 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.76 0.83 7.81 60 I 7.53 3.68 1.39 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.67 0.00 0.00 61 K 8.10 3.92 0.00 1.80 1.78 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.48 7.81 62 K 7.70 4.23 0.00 1.65 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.52 7.81 63 T 7.61 3.98 4.19 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 1.23 0.00 0.00 64 G 8.08 3.93 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 0.00 0.00 0.00 65 K 7.28 3.96 0.00 1.74 1.91 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 E 8.81 3.97 0.00 2.04 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 2.38 2.31 0.00 67 V 8.27 4.44 2.04 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 0.91 0.00 0.00 0.85 0.00 0.00 68 R 9.12 4.32 0.00 1.84 1.99 0.00 3.56 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 69 S 8.00 4.67 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.88 4.68 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 0.00 0.00 0.00 71 K 8.61 4.40 0.00 1.67 1.79 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.25 7.81 72 Q 8.28 5.03 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.76 0.00 73 L 8.57 4.38 0.00 1.12 1.37 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00