NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.4499 8.1749 110.9415 61.5338 70.1274 172.7028 7 V 4.3060 8.3961 115.1673 58.7323 34.7807 174.5760 8 A 4.1937 8.8472 128.0297 51.5919 19.9888 177.3041 9 A 4.4035 8.3029 124.2100 52.4190 19.2416 176.2655 10 Y 4.8534 8.0715 117.8485 55.8254 41.3888 174.4753 11 N 4.4488 9.0349 113.6412 53.9745 36.0032 174.9373 12 L 4.2999 8.1106 117.4766 55.7061 42.2528 177.2666 13 T 4.7068 9.0299 120.4064 61.4610 72.6468 172.9043 14 W 4.8514 8.8754 124.9399 55.5040 30.7206 175.8850 15 K 4.5939 9.3830 124.8943 54.7548 34.0679 175.1691 16 S 5.7020 8.4442 119.1059 56.1796 65.7636 173.3947 17 T 4.4230 8.0650 122.4223 63.0344 71.7126 173.5920 18 N 4.0626 9.5726 123.4589 54.3556 36.1866 175.4790 19 F 3.8910 7.8405 114.7176 57.3358 37.3680 175.0443 20 K 4.2416 8.0980 123.0877 56.6627 32.8078 175.4987 21 T 5.2367 8.9282 125.5350 61.8734 71.1066 173.6915 22 I 4.9148 9.3814 128.1133 59.3489 40.6793 174.3124 23 L 4.5616 8.6316 129.3558 54.0694 43.5658 175.1812 24 E 4.9935 8.8621 124.9297 54.6559 33.8156 174.6365 25 W 4.9837 7.7747 117.9148 56.0790 31.6392 172.8062 26 E 4.6469 8.8264 118.4356 54.0449 33.3602 173.8587 27 P 4.8364 0.0000 0.0000 60.3270 34.0664 174.6382 28 K 4.0105 8.4741 117.7182 55.9689 32.2349 175.2411 29 P 4.2966 0.0000 0.0000 62.6225 31.6509 175.8308 30 V 4.1539 8.1265 122.8942 61.5247 32.7585 174.5173 31 N 4.2410 8.6471 127.2619 53.6227 36.0086 173.7581 32 Q 4.7525 7.4638 111.1926 55.6788 31.3719 173.4760 33 V 4.5009 8.7294 114.0570 59.8535 36.1014 173.7186 34 Y 5.8459 8.9178 117.6458 56.1043 42.5888 175.2208 35 T 5.2057 8.3948 115.8643 62.4815 73.3186 173.0382 36 V 4.7271 8.5522 125.7545 61.2853 34.4959 174.3537 37 Q 5.3256 8.7352 124.1971 54.2723 32.9558 174.1648 38 I 5.5003 9.2379 122.7047 59.7438 41.9766 174.0074 39 S 4.9771 9.2225 121.7932 57.7012 66.8668 172.6998 40 T 4.6001 7.7744 109.5237 59.1870 70.9152 176.0104 41 K 3.9516 8.1133 123.3990 59.4126 32.1292 177.6925 42 S 4.4856 7.8322 108.9316 57.7591 63.5412 173.8970 43 G 3.8458 7.5168 110.8567 44.2643 0.0000 173.2590 44 D 4.5899 8.1342 119.0986 53.5815 41.5760 176.0599 45 W 4.8492 8.6084 120.6913 56.1269 30.3162 176.0644 46 K 4.8017 9.1944 123.9316 54.8578 34.1291 175.6978 47 S 5.2403 8.8932 120.6004 58.0723 64.4494 173.4765 48 K 3.7845 9.1851 121.5606 54.3232 36.8277 175.0642 49 C 4.3205 7.9233 116.3534 57.6024 37.6235 174.2732 50 F 4.1183 6.7731 116.1833 59.1918 39.0647 175.3927 51 Y 4.0357 8.1868 124.1371 59.0339 36.2439 171.3043 52 T 4.3064 8.0290 112.7809 62.4353 68.0794 174.5012 53 T 4.6597 8.2903 113.5005 61.4738 69.7681 174.3434 54 D 4.6167 8.0210 122.7644 54.8964 41.5298 175.5978 55 T 3.4340 7.6696 108.6883 60.3557 69.5885 173.2294 56 E 4.3005 6.8508 117.4065 56.4328 33.0100 174.8032 57 C 4.7508 9.0383 120.6180 55.4737 47.4766 172.3162 58 D 4.8386 8.8814 127.1125 54.1330 41.4389 175.5560 59 L 4.7334 8.8848 124.9355 54.7985 42.8884 178.2553 60 T 3.8856 8.1926 117.7568 67.3020 68.1945 176.0146 61 D 4.4754 8.1354 117.9884 56.8159 40.6581 177.9510 62 E 4.2997 8.0299 119.3689 58.4664 30.1033 178.4759 63 I 3.1508 7.3590 112.5560 63.3678 37.6956 177.7769 64 V 3.7936 7.5151 111.6040 62.3535 31.3724 177.8024 65 K 4.3781 7.6021 117.7717 58.2021 32.5293 176.4489 66 D 4.4404 7.8209 113.6571 53.5210 42.8241 176.2088 67 V 3.7778 8.2328 119.4620 63.4647 31.8245 177.6844 68 K 4.2316 7.4472 117.6534 57.2986 32.3186 177.1544 69 Q 4.0919 7.8869 118.1588 55.7897 29.4410 175.1294 70 T 4.4595 7.7367 116.0138 62.1876 70.5498 173.5505 71 Y 5.0370 8.5390 123.6654 56.1430 40.9512 174.8566 72 L 5.1299 9.1501 123.2360 53.4135 45.4066 175.1778 73 A 5.7337 9.1736 126.5993 50.2803 22.5778 175.3565 74 R 4.2858 8.7991 114.9305 54.3828 33.1875 174.3436 75 V 3.7352 7.7211 122.2248 60.9976 32.8088 174.8162 76 F 4.4216 8.5170 127.6240 56.9273 40.5692 175.0441 77 S 5.1748 8.3821 117.7524 56.9816 65.1517 173.0502 78 Y 5.0451 8.8226 122.6398 55.3316 40.9949 173.6348 79 P 4.6439 0.0000 0.0000 63.6140 32.7511 176.2148 80 A 3.9615 8.1443 123.7474 52.5098 19.3230 178.0994 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 6 T 8.17 4.45 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 7 V 8.40 4.31 2.17 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 0.73 0.00 0.00 1.05 0.00 0.00 8 A 8.85 4.19 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 9 A 8.30 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.07 4.85 0.00 3.10 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 11 N 9.03 4.45 0.00 2.83 2.96 0.00 0.00 6.91 7.85 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 12 L 8.11 4.30 0.00 1.42 1.43 0.77 0.62 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 13 T 9.03 4.71 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 14 W 8.88 4.85 0.00 3.17 3.14 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 15 K 9.38 4.59 0.00 1.78 1.73 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.73 7.81 16 S 8.44 5.70 0.00 3.90 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 17 T 8.06 4.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 18 N 9.57 4.06 0.00 2.82 2.93 0.00 0.00 7.25 7.45 0.00 0.00 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 F 7.84 3.89 0.00 3.27 3.26 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 20 K 8.10 4.24 0.00 1.94 1.85 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 21 T 8.93 5.24 4.35 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 1.54 0.00 0.00 22 I 9.38 4.91 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.85 0.00 0.00 23 L 8.63 4.56 0.00 1.19 1.42 -0.11 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.86 4.99 0.00 1.77 1.53 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 2.03 2.11 0.00 25 W 7.77 4.98 0.00 3.03 2.88 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 26 E 8.83 4.65 0.00 1.16 1.30 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 1.95 1.93 0.00 27 P 0.00 4.84 0.00 2.26 2.26 0.00 4.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 28 K 8.47 4.01 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 29 P 0.00 4.30 0.00 2.31 2.10 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 30 V 8.13 4.15 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 0.88 0.00 0.00 1.02 0.00 0.00 31 N 8.65 4.24 0.00 3.01 2.85 0.00 0.00 6.63 7.37 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 32 Q 7.46 4.75 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 33 V 8.73 4.50 2.31 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 0.81 0.00 0.00 1.17 0.00 0.00 34 Y 8.92 5.85 0.00 3.10 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 35 T 8.39 5.21 4.58 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 1.28 0.00 0.00 36 V 8.55 4.73 1.98 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 0.87 0.00 0.00 0.60 0.00 0.00 37 Q 8.74 5.33 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 38 I 9.24 5.50 2.03 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 1.52 2.13 1.07 0.00 0.00 39 S 9.22 4.98 0.00 3.14 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 40 T 7.77 4.60 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 0.83 0.00 0.00 41 K 8.11 3.95 0.00 1.65 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.35 7.81 42 S 7.83 4.49 0.00 3.89 3.87 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 0.00 0.00 0.00 43 G 7.52 3.85 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 0.00 0.00 0.00 44 D 8.13 4.59 0.00 2.72 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 45 W 8.61 4.85 0.00 3.24 3.23 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 46 K 9.19 4.80 0.00 1.93 1.81 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 47 S 8.89 5.24 0.00 4.11 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 48 K 9.19 3.78 0.00 1.44 1.46 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.55 7.81 49 C 7.92 4.32 0.00 3.04 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 50 F 6.77 4.12 0.00 3.05 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 51 Y 8.19 4.04 0.00 3.24 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 52 T 8.03 4.31 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 53 T 8.29 4.66 4.31 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 1.27 0.00 0.00 54 D 8.02 4.62 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 55 T 7.67 3.43 3.69 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 1.02 0.00 0.00 56 E 6.85 4.30 0.00 1.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 57 C 9.04 4.75 0.00 3.32 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.88 4.84 0.00 2.71 2.58 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 59 L 8.88 4.73 0.00 1.86 1.69 0.96 0.65 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 60 T 8.19 3.89 4.29 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 1.30 0.00 0.00 61 D 8.14 4.48 0.00 2.66 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 62 E 8.03 4.30 0.00 2.02 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 2.29 2.48 0.00 63 I 7.36 3.15 1.58 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 0.41 0.00 0.00 64 V 7.52 3.79 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 0.82 0.00 0.00 0.96 0.00 0.00 65 K 7.60 4.38 0.00 1.95 1.91 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.67 7.81 66 D 7.82 4.44 0.00 2.67 2.57 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 67 V 8.23 3.78 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 0.15 0.00 0.00 0.82 0.00 0.00 68 K 7.45 4.23 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 69 Q 7.89 4.09 0.00 2.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.25 0.00 70 T 7.74 4.46 4.08 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 1.12 0.00 0.00 71 Y 8.54 5.04 0.00 2.70 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 72 L 9.15 5.13 0.00 1.69 1.53 1.31 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 A 9.17 5.73 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 74 R 8.80 4.29 0.00 1.04 1.59 0.00 2.34 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 0.00 75 V 7.72 3.74 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 -0.18 0.00 0.00 76 F 8.52 4.42 0.00 2.91 2.28 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 77 S 8.38 5.17 0.00 3.68 3.72 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 78 Y 8.82 5.05 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.64 0.00 2.09 2.07 0.00 3.96 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 80 A 8.14 3.96 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