NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2274 8.3144 121.8001 55.7171 34.1775 175.3439 11 K 4.1140 8.1279 120.4467 54.7399 32.7991 173.9594 12 P 4.3439 0.0000 0.0000 62.7547 33.0828 177.1799 13 V 2.4477 8.1440 120.8451 65.6533 31.5684 177.4238 14 N 4.5981 8.0761 114.7868 54.7743 38.4165 175.3108 15 S 4.7839 7.9227 113.3856 57.7692 64.1683 174.5001 16 W 4.7069 8.3482 122.5034 57.0840 29.6034 176.0789 17 T 4.8848 9.6930 114.3984 60.6806 71.4787 175.3222 18 C 4.5056 9.0025 118.7195 60.2464 39.8086 176.6134 19 E 3.9024 7.8441 119.2731 59.3801 29.3957 178.5687 20 D 4.1387 7.5844 118.0209 57.3489 40.9784 178.6262 21 F 3.9473 7.7976 120.6206 61.3943 39.0432 177.0812 22 L 3.7265 7.6494 116.8363 56.8034 41.4772 178.4783 23 A 4.0630 7.1599 118.7587 52.1920 18.9529 177.6454 24 V 3.5948 6.5348 117.7222 61.7409 32.3853 175.2890 25 D 4.3525 8.7194 125.8136 54.5724 41.5133 176.5435 26 E 4.0123 9.1192 126.6359 59.5985 29.5879 179.3555 27 S 4.0769 7.9824 111.6237 60.3702 63.4008 175.3186 28 F 4.6168 8.4273 118.8612 57.4376 39.0580 177.3793 29 Q 4.3636 7.8017 120.6407 58.5712 28.4783 176.6257 30 P 4.5191 0.0000 0.0000 65.6677 31.2703 178.8359 31 T 4.0292 8.0783 114.3464 66.6182 68.4840 176.5193 32 A 4.2086 8.5002 122.8142 55.0410 18.4354 179.9640 33 V 3.7709 8.3116 117.0691 66.2887 31.6266 178.6393 34 G 3.6255 8.5280 105.7132 47.4646 0.0000 175.4608 35 F 3.9158 8.8026 123.1742 61.1934 39.4463 177.1016 36 A 3.9372 8.3734 120.4724 55.0584 17.8641 179.4529 37 E 3.6116 7.9167 115.8702 59.3237 29.6077 179.0051 38 A 3.9570 7.7122 119.4907 55.1984 18.4949 179.0853 39 L 3.8530 7.4137 115.8931 56.2645 42.2482 178.5630 40 N 4.3306 8.6501 115.4140 53.5838 38.9740 175.2077 41 N 4.4999 8.4738 123.6509 53.6409 38.8500 173.7127 42 K 4.6899 8.3543 118.1859 54.8935 37.9065 176.5453 43 D 4.4211 9.0137 121.0452 54.7833 39.4901 178.9456 44 K 4.6338 8.8301 124.5598 54.3152 35.8316 174.9249 45 P 4.1833 0.0000 0.0000 65.8218 31.3144 177.7446 46 E 4.0825 8.1368 113.9522 58.3716 29.6705 177.0322 47 D 4.6149 7.9325 116.9654 54.1122 42.3890 176.3139 48 A 3.8501 7.5808 122.3111 52.7122 18.5572 176.9133 49 V 4.2276 8.1472 122.3227 60.9307 33.6827 174.8931 50 L 4.3418 8.2763 127.2979 53.7017 42.3205 176.3733 51 D 4.7254 8.2833 127.1796 52.9430 40.9026 176.2614 52 V 3.7211 8.1094 126.4728 65.3057 31.6652 177.2155 53 Q 4.0819 8.2933 119.5094 58.9225 28.9604 177.8884 54 G 3.5750 8.5287 106.8209 48.0123 0.0000 175.7891 55 I 4.0868 8.3153 122.2889 64.0548 36.8967 178.4524 56 A 4.0816 7.9324 120.9636 55.3384 18.6670 179.6047 57 T 4.0316 8.2487 114.8109 66.5973 68.6231 177.2853 58 V 3.6996 8.1318 120.3342 63.7984 31.6110 178.5984 59 T 4.0479 7.7536 117.5057 66.4364 68.3303 174.5583 60 P 4.2904 0.0000 0.0000 65.5247 31.2906 178.3474 61 A 4.0331 7.5206 117.3715 55.4511 18.2236 179.8369 62 I 3.8325 8.1663 118.3762 64.4622 37.2232 178.8401 63 V 3.8619 8.4331 119.5572 65.9921 31.2220 177.9205 64 Q 3.9280 8.4676 119.1402 59.2437 28.7900 177.7228 65 A 4.0647 8.1756 120.7514 55.8381 18.5263 178.8001 66 C 4.5453 8.8124 114.9341 60.3135 40.0138 176.4672 67 T 3.8379 7.6381 116.5133 66.1923 68.1234 175.7203 68 Q 4.4900 7.6282 117.0477 55.5812 30.7113 176.1358 69 D 4.8192 7.6018 119.7445 53.2264 42.2386 175.9330 70 K 4.2467 8.0656 121.4347 58.6663 32.8413 178.8085 71 Q 4.5567 7.9293 115.2980 55.3232 29.4420 175.5618 72 A 4.2443 7.8134 122.3272 51.5041 19.3164 176.6820 73 N 4.8982 8.5810 118.4468 53.2039 40.2722 175.6715 74 F 4.3358 9.0886 130.3039 61.6072 39.6445 177.3215 75 K 3.3511 8.0828 118.5586 59.2860 31.9295 178.3605 76 D 4.3514 8.0023 119.1862 57.0454 40.6458 178.8047 77 K 3.9845 8.0342 119.2116 59.1945 31.8951 179.6172 78 V 3.4931 7.6488 118.8146 65.8778 31.3688 178.1254 79 K 4.0051 7.9802 118.3828 59.4477 31.9766 179.4938 80 G 3.5553 8.2978 105.8517 47.8808 0.0000 175.3173 81 E 3.9884 8.1864 121.0127 58.8700 29.6645 179.1106 82 W 4.0275 8.2796 126.8974 60.4398 30.7388 177.5404 83 D 4.5692 7.8545 117.6471 56.8815 41.7698 178.3377 84 K 4.2090 7.6531 118.9229 56.7364 28.4105 176.6360 85 I 3.3929 7.3623 124.0676 61.8672 37.3115 174.3792 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 10 K 8.31 4.23 0.00 1.75 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 11 K 8.13 4.11 0.00 2.00 2.15 0.00 1.90 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.63 7.81 12 P 0.00 4.34 0.00 2.24 1.98 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 13 V 8.14 2.45 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 0.78 0.00 0.00 -0.12 0.00 0.00 14 N 8.08 4.60 0.00 2.74 2.85 0.00 0.00 6.76 7.57 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 15 S 7.92 4.78 0.00 4.05 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 16 W 8.35 4.71 0.00 3.69 3.11 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 0.00 0.00 0.00 0.00 17 T 9.69 4.88 4.44 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 1.28 0.00 0.00 18 C 9.00 4.51 0.00 3.33 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 3.90 0.00 1.88 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 2.33 2.56 0.00 20 D 7.58 4.14 0.00 2.45 1.59 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 21 F 7.80 3.95 0.00 2.35 3.08 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 0.00 0.00 0.00 0.00 22 L 7.65 3.73 0.00 1.71 1.60 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.16 4.06 1.13 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 24 V 6.53 3.59 2.05 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 0.86 0.00 0.00 0.80 0.00 0.00 25 D 8.72 4.35 0.00 2.82 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 26 E 9.12 4.01 0.00 2.01 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 2.37 2.29 0.00 27 S 7.98 4.08 0.00 3.74 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 28 F 8.43 4.62 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.80 4.36 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.79 0.00 0.00 0.00 0.00 0.00 1.71 2.45 0.00 30 P 0.00 4.52 0.00 2.22 2.20 0.00 3.80 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 2.13 2.25 0.00 31 T 8.08 4.03 4.74 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 1.46 0.00 0.00 32 A 8.50 4.21 1.78 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 33 V 8.31 3.77 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 1.13 0.00 0.00 1.20 0.00 0.00 34 G 8.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 3.92 0.00 3.28 3.19 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 36 A 8.37 3.94 1.13 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 37 E 7.92 3.61 0.00 1.93 1.67 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 1.99 2.37 0.00 38 A 7.71 3.96 1.14 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 0.00 0.00 39 L 7.41 3.85 0.00 1.72 1.63 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.65 4.33 0.00 2.70 2.43 0.00 0.00 7.13 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.47 4.50 0.00 2.58 2.54 0.00 0.00 6.58 7.61 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 42 K 8.35 4.69 0.00 1.70 1.75 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.30 7.81 43 D 9.01 4.42 0.00 2.64 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 0.00 0.00 0.00 0.00 44 K 8.83 4.63 0.00 1.92 1.78 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 45 P 0.00 4.18 0.00 1.99 2.09 0.00 3.64 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 2.05 0.00 46 E 8.14 4.08 0.00 2.05 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 0.00 2.25 2.31 0.00 47 D 7.93 4.61 0.00 2.74 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 48 A 7.58 3.85 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 49 V 8.15 4.23 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 0.84 0.00 0.00 0.95 0.00 0.00 50 L 8.28 4.34 0.00 1.61 1.57 0.94 1.18 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 D 8.28 4.73 0.00 2.90 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 52 V 8.11 3.72 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 1.01 0.00 0.00 0.97 0.00 0.00 53 Q 8.29 4.08 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 54 G 8.53 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 55 I 8.32 4.09 2.02 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 1.67 1.13 1.08 0.00 0.00 56 A 7.93 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.25 4.03 4.36 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 1.12 0.00 0.00 58 V 8.13 3.70 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 1.16 0.00 0.00 0.98 0.00 0.00 59 T 7.75 4.05 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 60 P 0.00 4.29 0.00 2.19 2.14 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 61 A 7.52 4.03 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 62 I 8.17 3.83 2.26 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 1.01 0.00 0.00 63 V 8.43 3.86 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 0.99 0.00 0.00 1.09 0.00 0.00 64 Q 8.47 3.93 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 65 A 8.18 4.06 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 66 C 8.81 4.55 0.00 3.36 3.35 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 67 T 7.64 3.84 4.59 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 1.23 0.00 0.00 68 Q 7.63 4.49 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.22 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 69 D 7.60 4.82 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.25 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.62 7.81 71 Q 7.93 4.56 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 72 A 7.81 4.24 1.46 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 0.00 0.00 0.00 73 N 8.58 4.90 0.00 2.83 2.75 0.00 0.00 6.56 7.71 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 74 F 9.09 4.34 0.00 3.40 3.36 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 75 K 8.08 3.35 0.00 1.69 1.77 0.00 1.98 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 76 D 8.00 4.35 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.03 3.98 0.00 2.02 1.91 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.69 7.81 78 V 7.65 3.49 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 0.99 0.00 0.00 0.23 0.00 0.00 79 K 7.98 4.01 0.00 1.94 1.83 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.69 7.81 80 G 8.30 3.56 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 0.00 0.00 0.00 81 E 8.19 3.99 0.00 2.17 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 0.00 2.41 2.54 0.00 82 W 8.28 4.03 0.00 3.55 3.28 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 0.00 83 D 7.85 4.57 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.65 4.21 0.00 1.78 1.74 0.00 1.96 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.61 7.81 85 I 7.36 3.39 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.78 0.00 0.00