NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5269 8.3349 116.8096 58.0965 64.5333 173.1353 8 D 4.6878 8.3899 121.5465 52.7918 41.9929 174.5085 9 F 5.3420 8.2860 114.8727 55.2268 42.1388 173.4774 10 V 4.5025 8.8124 119.0848 61.1036 34.5072 174.1547 11 V 4.7939 8.8291 127.6139 61.5205 33.7196 174.4777 12 I 4.9441 9.1798 127.9830 59.4393 40.9393 174.0085 13 K 4.9964 9.1235 129.0544 54.2250 34.3413 175.0533 14 A 4.3946 8.6530 130.6330 52.3698 18.9701 177.4390 15 L 4.6722 9.0956 122.8472 54.8586 42.5259 176.1028 16 E 4.6834 7.6945 115.5255 54.7176 32.4925 174.3985 17 D 4.4807 8.3468 119.2028 55.5659 41.3740 177.0416 18 G 3.8787 8.6182 109.3555 45.6429 0.0000 174.0172 19 V 3.8732 7.5960 120.0735 62.9643 32.8480 174.5216 20 N 5.2521 8.9764 124.6279 51.4943 41.3501 173.6100 21 V 4.4770 8.8204 124.9701 61.4627 33.3992 174.2588 22 I 4.6430 8.7757 130.1117 59.4082 39.5170 175.1305 23 G 4.1439 8.8330 115.1577 45.3152 0.0000 172.5463 24 L 5.5565 8.7340 125.1726 53.0895 44.4041 176.0592 25 T 4.5844 8.6319 113.5853 61.4769 69.5942 174.4089 26 R 4.2882 7.8531 126.4580 55.8102 30.8431 176.0433 27 G 4.0615 8.8365 111.3033 43.1188 0.0000 172.9889 28 A 4.0843 8.3540 122.3876 54.4457 18.5268 177.7470 29 D 4.8418 7.8131 114.1014 53.2480 42.6282 175.9597 30 T 4.7640 8.2984 118.3766 61.9425 70.9090 173.4059 31 R 4.6767 8.7784 122.2810 54.2587 33.7232 174.3147 32 F 5.1776 8.6011 119.2239 58.1439 38.9210 175.0746 33 H 4.9668 9.2355 118.8817 56.4660 30.4810 174.2288 34 H 4.8497 7.7079 117.4913 54.8637 33.4179 172.1031 35 S 4.7547 8.1796 118.8941 56.4812 64.7584 172.3734 36 E 4.4176 9.1242 129.9144 54.7508 31.0137 174.3915 37 K 4.9144 8.5931 128.6142 55.1129 33.8875 175.1696 38 L 4.9307 9.1971 127.7136 53.1768 44.4770 176.1532 39 D 5.0344 9.1862 123.9712 52.3939 43.3165 175.9708 40 K 4.0393 8.9565 122.1078 58.3580 32.3471 176.9809 41 G 4.0305 8.9336 115.2226 45.3064 0.0000 173.6127 42 E 4.2806 7.9804 119.2817 56.2493 30.8737 176.0638 43 V 4.8707 8.2469 121.4195 61.0222 34.5508 174.2314 44 L 4.7493 9.0889 129.6924 53.2421 44.8889 174.8696 45 I 5.0115 8.5089 126.3333 59.6775 39.1913 174.5876 46 A 4.7635 8.9784 129.3683 50.0736 21.8880 175.3134 47 Q 4.8556 8.5572 120.1941 54.9148 30.5573 175.6670 48 F 4.7569 8.4288 120.4370 57.8430 39.9185 175.1885 49 T 4.7282 8.8261 111.5739 60.0482 71.9774 173.2702 50 E 4.0133 8.8968 121.2905 59.4185 29.7415 177.2825 51 H 4.4820 8.1438 114.2231 56.6679 29.6704 174.2426 52 T 5.0544 8.2185 116.3853 62.0608 71.1305 174.4133 53 S 4.8918 9.0032 120.7433 58.2356 65.0585 173.6423 54 A 5.0732 7.9612 121.8489 50.9006 22.6440 174.9947 55 I 5.0012 8.5983 120.8743 59.3384 40.8822 174.6962 56 K 4.5922 9.0708 128.0097 54.4995 34.8689 174.6123 57 V 4.7646 8.3663 126.4939 61.0607 33.7481 174.3966 58 R 4.4676 8.9986 128.2790 55.2386 32.8410 174.1841 59 G 3.9340 8.9935 111.2165 43.6615 0.0000 172.4335 60 K 4.8354 9.6634 120.7346 55.3286 33.0368 175.5785 61 A 5.0709 8.5183 126.6619 51.0203 23.4282 173.7376 62 Y 4.8190 9.0782 121.7527 56.1407 40.8242 174.5788 63 I 5.0636 8.2942 127.0295 59.5658 40.9969 174.3302 64 Q 5.0826 9.0839 125.7512 54.3820 31.8820 174.8871 65 T 4.6460 8.5586 112.5812 59.6619 72.4356 174.5960 66 R 3.7163 8.4886 120.4320 59.5232 29.9821 176.6876 67 H 4.5873 7.7184 112.8863 55.4551 29.5124 173.8019 68 G 3.7907 7.4281 105.8580 44.1555 0.0000 173.1027 69 V 4.5676 8.0404 112.8300 60.2113 33.5675 175.4591 70 I 4.5883 8.3277 122.6150 59.6013 42.0671 173.0336 71 E 5.0617 8.4989 126.7150 54.3496 32.4326 175.1315 72 S 4.6937 8.7119 121.5722 57.6897 65.3406 172.8301 73 E 4.9477 8.5184 120.5391 54.2950 32.1914 176.3292 74 G 3.7330 9.0177 113.2197 45.0798 0.0000 173.2104 75 K 4.2884 8.4159 120.1003 56.3758 32.1310 176.0313 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 7 S 8.33 4.53 0.00 3.99 4.07 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 0.00 0.00 0.00 8 D 8.39 4.69 0.00 2.89 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 9 F 8.29 5.34 0.00 2.92 2.95 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 0.00 0.00 0.00 10 V 8.81 4.50 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 0.97 0.00 0.00 0.78 0.00 0.00 11 V 8.83 4.79 2.26 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 1.07 0.00 0.00 1.16 0.00 0.00 12 I 9.18 4.94 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.92 0.00 0.00 13 K 9.12 5.00 0.00 1.86 1.77 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 A 8.65 4.39 1.33 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 0.00 0.00 0.00 15 L 9.10 4.67 0.00 1.57 1.73 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.69 4.68 0.00 2.02 1.88 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 2.18 2.33 0.00 17 D 8.35 4.48 0.00 2.69 2.64 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 18 G 8.62 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 0.00 0.00 0.00 19 V 7.60 3.87 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 0.95 0.00 0.00 1.05 0.00 0.00 20 N 8.98 5.25 0.00 2.66 2.59 0.00 0.00 6.34 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 21 V 8.82 4.48 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.78 4.64 1.51 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.36 -0.26 0.00 0.00 23 G 8.83 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 0.00 0.00 0.00 24 L 8.73 5.56 0.00 1.90 1.72 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.63 4.58 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 1.36 0.00 0.00 26 R 7.85 4.29 0.00 1.91 1.99 0.00 3.23 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.08 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.81 4.84 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.30 4.76 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 1.27 0.00 0.00 31 R 8.78 4.68 0.00 1.81 1.94 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 32 F 8.60 5.18 0.00 2.88 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 33 H 9.24 4.97 0.00 3.13 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.71 4.85 0.00 3.29 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.18 4.75 0.00 3.72 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 4.42 0.00 2.14 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 2.25 2.28 0.00 37 K 8.59 4.91 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.44 7.81 38 L 9.20 4.93 0.00 1.55 1.52 0.92 1.10 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 39 D 9.19 5.03 0.00 2.58 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 40 K 8.96 4.04 0.00 1.71 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 41 G 8.93 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.98 4.28 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 43 V 8.25 4.87 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.09 4.75 0.00 1.73 1.45 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.51 5.01 1.76 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 1.28 0.79 0.72 0.00 0.00 46 A 8.98 4.76 1.12 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 0.00 0.00 47 Q 8.56 4.86 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 48 F 8.43 4.76 0.00 3.05 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 49 T 8.83 4.73 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 1.31 0.00 0.00 50 E 8.90 4.01 0.00 1.93 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 2.03 2.27 0.00 51 H 8.14 4.48 0.00 3.28 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.22 5.05 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 1.33 0.00 0.00 53 S 9.00 4.89 0.00 3.81 4.11 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 54 A 7.96 5.07 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 55 I 8.60 5.00 1.83 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.88 0.00 0.00 56 K 9.07 4.59 0.00 1.76 1.43 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.34 7.81 57 V 8.37 4.76 2.06 0.00 0.00 0.00 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 0.90 0.00 0.00 58 R 9.00 4.47 0.00 1.83 1.67 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 59 G 8.99 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 60 K 9.66 4.84 0.00 1.85 1.71 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.52 5.07 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 62 Y 9.08 4.82 0.00 3.04 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 63 I 8.29 5.06 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.90 0.00 0.00 64 Q 9.08 5.08 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 65 T 8.56 4.65 4.10 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.49 3.72 0.00 1.62 1.82 0.00 3.20 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.72 4.59 0.00 3.19 3.29 0.00 5.69 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 68 G 7.43 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.04 4.57 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 0.63 0.00 0.00 0.85 0.00 0.00 70 I 8.33 4.59 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.50 0.85 0.00 0.00 71 E 8.50 5.06 0.00 1.93 1.76 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 2.26 2.50 0.00 72 S 8.71 4.69 0.00 4.01 3.95 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 0.00 0.00 0.00 73 E 8.52 4.95 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 74 G 9.02 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 0.00 0.00 0.00 75 K 8.42 4.29 0.00 1.74 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81