NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.5804 8.1749 117.3783 63.4419 69.9272 172.8996 7 V 4.2975 8.9390 117.9623 58.7370 34.7244 174.3483 8 A 4.1517 8.9270 128.9644 51.5711 19.9434 177.1057 9 A 4.3599 8.2388 124.5869 52.5702 19.2677 176.0710 10 Y 4.8189 8.3186 117.2240 56.0864 41.3290 174.2229 11 N 4.4739 8.9599 114.0093 54.0887 36.0972 175.1017 12 L 4.3450 8.0218 117.2616 55.4994 42.3916 177.5468 13 T 4.6947 8.9908 120.5029 61.4716 72.7186 172.9230 14 W 4.9085 8.9151 125.2280 55.5465 30.7444 175.7874 15 K 4.6026 9.3101 125.3187 54.7834 33.7636 175.3415 16 S 5.6596 8.4419 119.2956 56.2377 65.6853 173.4135 17 T 4.4431 8.1526 122.4777 63.2024 71.9452 173.6183 18 N 4.1183 9.5848 123.7430 54.3693 36.2525 175.4212 19 F 3.8586 7.7695 113.7252 57.4253 37.4873 175.1900 20 K 4.2322 8.1435 123.8244 56.6328 33.0845 175.6718 21 T 5.1851 9.2430 125.1928 61.9164 71.6332 173.1266 22 I 4.9625 9.1737 127.7870 59.3199 40.5000 174.4338 23 L 4.5859 8.8390 129.4580 53.9876 43.5770 175.1333 24 E 5.0136 8.9003 125.2311 54.6666 33.6110 174.7409 25 W 4.9397 7.5901 117.9406 56.1104 31.6800 172.7469 26 E 4.6365 8.7394 118.4504 53.9391 33.2715 173.9306 27 P 4.8662 0.0000 0.0000 60.4353 33.7084 175.2290 28 K 4.0810 8.3563 118.3644 55.9148 32.3896 175.5051 29 P 4.4386 0.0000 0.0000 62.4839 32.4595 176.2124 30 V 4.1550 7.7784 119.4940 61.8998 33.1059 174.7522 31 N 4.6497 8.9938 125.9659 53.5986 35.8804 173.7883 32 Q 5.1120 7.1924 110.9711 55.4901 32.0093 173.3475 33 V 4.5347 8.8908 113.1013 59.9138 36.4700 174.0184 34 Y 6.1152 9.0533 118.5561 56.0423 41.9879 175.2460 35 T 5.1063 8.4598 116.5581 62.1663 73.3069 173.0130 36 V 4.7164 8.5352 125.1814 61.3220 34.4382 174.3901 37 Q 5.3573 8.9058 124.1241 54.3551 33.0043 174.1905 38 I 5.5534 9.0683 121.5408 60.0364 42.2138 173.8194 39 S 4.8597 8.9406 120.9102 57.9376 66.7926 173.4331 40 T 4.5436 7.7633 110.1384 58.9083 70.7809 175.6301 41 K 3.6775 8.4972 121.8463 59.1352 32.0152 177.9866 42 S 4.5029 7.8453 108.9306 57.6703 63.6266 173.8028 43 G 3.8696 7.2977 110.4767 44.1044 0.0000 173.3840 44 D 4.5505 8.1065 118.9445 53.5697 41.5424 176.1920 45 W 4.7889 8.6405 121.2000 56.2507 30.1447 175.7032 46 K 4.7665 9.3862 126.5287 54.8770 34.0162 175.2387 47 S 5.2674 8.8682 122.8106 58.0972 64.5548 173.3828 48 K 3.8017 8.8918 121.2507 54.6189 37.0270 174.9761 49 C 4.3617 7.8918 116.2799 57.6247 37.5605 174.6715 50 F 3.9513 6.8002 116.2311 59.3540 39.2954 175.7486 51 Y 4.0039 7.9267 124.7569 59.2273 36.2468 171.2261 52 T 4.4203 8.2453 112.9030 62.0428 68.4903 174.5489 53 T 4.5379 8.2817 113.9952 61.4339 69.5785 174.3409 54 D 4.6337 8.2962 122.9779 54.9422 41.6083 175.5805 55 T 3.4619 7.6831 108.8401 60.2821 69.3653 173.1724 56 E 4.4546 7.0157 117.2832 56.3880 32.9961 174.9168 57 C 4.7766 9.0827 121.1176 55.3902 47.3077 172.3745 58 D 4.7717 8.8874 127.1458 54.1051 41.4754 175.6095 59 L 4.7490 9.0850 125.0220 54.7643 42.9742 178.1795 60 T 3.8969 8.2978 118.2101 67.3357 68.1671 175.9665 61 D 4.4368 8.1251 118.1330 57.1717 40.9182 178.4261 62 E 4.2088 7.9409 118.9188 59.1579 29.7523 178.8756 63 I 3.0182 7.5674 112.8198 63.3497 37.4495 178.0146 64 V 3.7596 7.5828 112.4154 62.7027 31.4786 177.9111 65 K 4.3583 7.6238 118.6265 58.5066 32.7344 176.3719 66 D 4.4111 7.7780 115.2003 53.5898 42.5229 176.1039 67 V 3.8630 8.2230 119.4645 63.1624 31.7812 177.4528 68 K 4.3288 7.9567 117.7035 56.6395 32.4008 176.9907 69 Q 4.1258 7.7274 118.1171 55.7488 29.4647 175.1088 70 T 4.5053 8.0124 116.4761 62.2979 70.3295 173.5767 71 Y 4.9922 8.5920 123.7548 56.1314 40.8861 174.8675 72 L 5.1499 9.0246 123.3869 53.4036 45.4096 175.1366 73 A 5.7367 9.1439 126.4669 50.3728 22.5604 175.1692 74 R 4.3791 8.8498 114.6317 54.4935 33.3765 174.0786 75 V 4.0990 7.6302 120.8468 61.0812 33.2100 174.7170 76 F 4.5196 8.8839 127.2624 56.3786 41.0033 174.8755 77 S 5.2762 8.4247 117.8134 57.0335 65.0624 173.0825 78 Y 5.0528 8.9017 122.4642 55.2044 41.1970 173.4562 79 P 4.6894 0.0000 0.0000 62.8175 32.4628 176.0973 80 A 4.3191 8.4876 123.5119 52.1753 18.4958 177.0327 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 4.58 4.26 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 1.23 0.00 0.00 7 V 8.94 4.30 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 0.71 0.00 0.00 1.14 0.00 0.00 8 A 8.93 4.15 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 8.24 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.32 4.82 0.00 3.09 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 11 N 8.96 4.47 0.00 2.88 2.96 0.00 0.00 6.93 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 8.02 4.34 0.00 1.41 1.42 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.99 4.69 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 1.25 0.00 0.00 14 W 8.92 4.91 0.00 3.16 3.12 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 15 K 9.31 4.60 0.00 1.77 1.74 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.71 7.81 16 S 8.44 5.66 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.44 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 9.58 4.12 0.00 2.80 2.92 0.00 0.00 7.21 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 7.77 3.86 0.00 3.26 3.22 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 0.00 20 K 8.14 4.23 0.00 1.93 1.83 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 21 T 9.24 5.19 4.33 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 1.48 0.00 0.00 22 I 9.17 4.96 1.88 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 1.14 1.13 0.91 0.00 0.00 23 L 8.84 4.59 0.00 1.22 1.44 -0.23 0.64 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 24 E 8.90 5.01 0.00 1.78 1.57 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 2.03 2.12 0.00 25 W 7.59 4.94 0.00 3.06 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 26 E 8.74 4.64 0.00 1.16 1.20 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 2.02 1.99 0.00 27 P 0.00 4.87 0.00 2.28 2.26 0.00 3.95 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 28 K 8.36 4.08 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 29 P 0.00 4.44 0.00 2.29 1.87 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 30 V 7.78 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 1.05 0.00 0.00 0.96 0.00 0.00 31 N 8.99 4.65 0.00 2.99 2.88 0.00 0.00 6.59 7.74 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 32 Q 7.19 5.11 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 33 V 8.89 4.53 2.36 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 0.77 0.00 0.00 1.16 0.00 0.00 34 Y 9.05 6.12 0.00 3.08 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 35 T 8.46 5.11 4.54 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 1.28 0.00 0.00 36 V 8.54 4.72 1.99 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 0.90 0.00 0.00 0.63 0.00 0.00 37 Q 8.91 5.36 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 38 I 9.07 5.55 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.19 1.11 0.00 0.00 39 S 8.94 4.86 0.00 3.43 3.05 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 0.00 0.00 0.00 0.00 40 T 7.76 4.54 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 0.69 0.00 0.00 41 K 8.50 3.68 0.00 1.65 1.87 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.34 7.81 42 S 7.85 4.50 0.00 3.87 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 43 G 7.30 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 0.00 0.00 0.00 44 D 8.11 4.55 0.00 2.71 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 45 W 8.64 4.79 0.00 3.23 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 9.39 4.77 0.00 1.91 1.77 0.00 1.70 0.00 0.00 2.14 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 47 S 8.87 5.27 0.00 4.16 4.05 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 0.00 0.00 0.00 0.00 48 K 8.89 3.80 0.00 1.46 1.47 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.58 7.81 49 C 7.89 4.36 0.00 3.03 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 50 F 6.80 3.95 0.00 3.04 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 51 Y 7.93 4.00 0.00 3.23 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 52 T 8.25 4.42 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 1.64 0.00 0.00 53 T 8.28 4.54 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 1.25 0.00 0.00 54 D 8.30 4.63 0.00 2.68 2.50 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 0.00 0.00 0.00 55 T 7.68 3.46 3.62 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 1.00 0.00 0.00 56 E 7.02 4.45 0.00 1.71 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 1.94 2.16 0.00 57 C 9.08 4.78 0.00 3.30 3.10 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 0.00 58 D 8.89 4.77 0.00 2.72 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 9.09 4.75 0.00 1.87 1.71 1.01 0.46 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 8.30 3.90 4.27 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 1.31 0.00 0.00 61 D 8.13 4.44 0.00 2.65 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 62 E 7.94 4.21 0.00 2.11 1.99 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 2.42 2.37 0.00 63 I 7.57 3.02 1.42 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.98 0.28 0.00 0.00 64 V 7.58 3.76 1.99 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 0.79 0.00 0.00 0.98 0.00 0.00 65 K 7.62 4.36 0.00 1.86 1.92 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.72 7.81 66 D 7.78 4.41 0.00 2.59 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 67 V 8.22 3.86 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 0.24 0.00 0.00 0.79 0.00 0.00 68 K 7.96 4.33 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 69 Q 7.73 4.13 0.00 2.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 T 8.01 4.51 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 1.15 0.00 0.00 71 Y 8.59 4.99 0.00 2.65 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.02 5.15 0.00 1.71 1.55 1.24 1.26 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 9.14 5.74 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 74 R 8.85 4.38 0.00 1.25 1.70 0.00 2.21 0.00 0.00 2.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.00 75 V 7.63 4.10 1.27 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 -0.45 0.00 0.00 -0.31 0.00 0.00 76 F 8.88 4.52 0.00 2.84 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 0.00 0.00 0.00 0.00 77 S 8.42 5.28 0.00 3.72 3.77 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 78 Y 8.90 5.05 0.00 2.95 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 79 P 0.00 4.69 0.00 2.09 2.08 0.00 3.97 0.00 0.00 3.76 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 8.49 4.32 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