NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.6028 8.3301 116.7183 58.6290 64.1678 172.6245 11 A 4.5891 9.6267 124.3569 49.6839 22.9334 169.8765 12 V 5.0407 8.9364 120.4026 60.3611 35.3183 172.7600 13 S 4.9146 10.0927 120.5066 55.2135 66.0655 172.5983 14 V 4.7683 8.9043 126.9174 60.9837 34.0820 174.0512 15 L 4.8712 8.7537 129.4283 54.0633 42.0113 175.4455 16 A 4.7635 9.2197 127.8454 50.5136 19.4024 176.2683 17 P 4.4467 0.0000 0.0000 64.1973 31.8798 176.7219 18 N 4.5310 8.0547 115.6498 53.5672 37.5482 175.5704 19 G 3.9006 8.1992 107.3256 45.3149 0.0000 173.2191 20 R 4.5208 8.4999 119.5371 54.1755 32.3920 174.9574 21 R 4.9795 8.6669 125.4730 54.7192 31.8357 174.7581 22 H 5.0149 9.3010 121.8661 54.0738 32.2206 172.0610 23 T 4.7849 8.5285 115.4195 60.1779 70.4526 172.3650 24 V 4.5528 8.6302 128.6361 60.7365 34.4282 174.2573 25 K 4.7054 8.7278 127.7465 56.5997 33.2466 176.4084 26 V 4.5316 8.3012 117.2038 59.4725 35.6116 175.1262 27 T 4.2110 8.0350 117.8538 61.9296 69.6003 174.6323 28 P 2.9700 0.0000 0.0000 63.6778 31.6528 177.5205 29 S 4.4974 7.5217 111.7400 58.1933 63.5303 173.9598 30 T 4.3452 7.2481 119.0157 62.6687 69.5278 174.4346 31 V 4.1502 8.1986 119.0085 60.8756 31.8223 177.4715 32 L 4.1811 8.2046 125.5236 57.3441 41.3221 179.8414 33 L 4.3146 7.9488 120.1475 58.9225 40.3542 179.2361 34 Q 3.9958 8.1014 118.9352 58.7916 28.5034 178.9643 35 V 3.5905 7.6150 113.8433 64.1224 31.8419 178.1139 36 L 3.9696 9.2501 120.3824 58.3077 41.8418 178.8915 37 E 4.1180 8.8369 118.9076 59.3127 29.2669 179.1102 38 D 4.3151 8.2441 119.2530 57.8009 40.9269 178.7554 39 T 3.8021 8.5967 113.8618 65.3609 67.2001 175.9644 40 C 4.0360 8.6125 119.5338 62.4311 27.9238 176.2471 41 R 4.0568 8.2512 118.4382 59.4301 28.9262 179.2411 42 R 4.0015 8.1385 116.6727 58.0282 29.6264 177.6150 43 Q 4.2230 8.5579 117.1585 54.6048 30.2536 176.1700 44 D 4.4545 7.2167 116.7876 54.9595 38.3343 172.6827 45 F 5.3368 9.4956 122.9987 56.5005 43.3417 174.5448 46 N 5.2474 8.5696 118.7541 50.8563 41.9206 174.2529 47 P 4.6588 0.0000 0.0000 65.2640 32.1889 178.1983 48 S 4.7368 8.0011 111.5857 59.3915 62.5551 173.9656 49 E 4.9115 7.6341 117.0014 55.4610 31.5808 174.9830 50 Y 5.5095 8.1555 117.5489 56.5605 42.7186 173.8977 51 D 5.1002 10.6100 121.8251 52.5294 45.4334 174.5062 52 L 5.3141 8.7283 120.9344 52.9721 45.3483 175.5837 53 K 4.9888 9.1042 123.5169 55.0137 36.5117 174.4059 54 F 4.9747 9.8750 129.6239 57.6325 42.1287 176.0074 55 Q 3.2995 9.1740 129.8828 57.4285 28.1962 174.0198 56 R 4.4271 8.5367 109.0239 55.7032 30.7772 175.0479 57 T 4.5176 7.6509 116.2284 61.5709 70.8924 173.7283 58 V 3.9976 8.2995 119.6993 60.9756 33.0529 175.4894 59 L 4.7162 10.6964 124.1229 53.0363 44.0464 173.6249 60 D 4.4857 8.3789 127.1850 53.9991 44.7392 176.4078 61 L 4.2587 8.8782 114.0319 56.8704 42.5406 177.2462 62 S 4.6017 7.7702 111.8679 58.5185 62.4142 175.0890 63 L 4.6260 7.5472 121.2171 54.1946 42.6156 175.7498 64 Q 4.6128 8.3439 122.4640 54.5486 30.1727 177.4061 65 W 4.5378 8.5531 132.6087 60.4522 30.8825 178.4400 66 R 4.0691 7.7396 113.5100 58.3045 28.7869 176.2469 67 F 4.6097 7.9702 113.6303 59.0576 41.1538 176.6028 68 A 3.9706 9.7361 123.2321 53.2169 18.2612 177.0334 69 N 3.8143 7.9003 107.5405 53.7896 35.8223 173.6994 70 L 3.8424 5.6887 123.2676 52.0788 43.7025 174.7770 71 P 4.4024 0.0000 0.0000 61.3798 32.3136 175.8675 72 N 4.0326 8.4142 111.5951 58.0148 37.0633 175.4709 73 N 4.4253 9.0972 114.8397 53.8450 38.9840 175.4174 74 A 2.9724 7.7857 115.7058 52.5910 15.4724 173.5251 75 K 4.6996 7.6325 121.7050 55.7844 34.0823 176.6324 76 L 4.9772 10.5202 124.4875 52.8199 45.4642 175.0877 77 E 4.8647 9.1457 121.4003 55.1381 31.6397 174.8137 78 M 4.9559 8.6926 124.9820 54.6990 33.4150 175.7709 79 V 4.7513 9.3072 125.3311 59.4628 35.3234 172.2969 80 P 5.0367 0.0000 0.0000 61.8396 32.4352 176.6891 81 V 3.8858 7.2184 120.8039 62.0575 36.4133 169.5144 82 S 4.6183 7.5454 114.1294 56.2951 62.8094 174.8707 83 R 4.4262 8.3562 126.5135 54.6497 29.2720 176.3483 84 S 4.7038 8.2463 112.7355 57.7975 63.5813 174.8042 85 R 4.1013 8.2564 121.8786 57.4510 30.0794 173.9162 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 S 8.33 4.60 0.00 3.15 2.63 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 11 A 9.63 4.59 1.25 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 0.00 0.00 0.00 12 V 8.94 5.04 2.23 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 1.42 0.00 0.00 1.17 0.00 0.00 13 S 10.09 4.91 0.00 3.96 3.59 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 14 V 8.90 4.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.82 0.00 0.00 15 L 8.75 4.87 0.00 1.81 1.80 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 A 9.22 4.76 1.38 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 0.00 0.00 0.00 17 P 0.00 4.45 0.00 2.23 2.21 0.00 3.82 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 18 N 8.05 4.53 0.00 2.89 3.04 0.00 0.00 6.46 7.05 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 19 G 8.20 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.50 4.52 0.00 1.84 1.78 0.00 3.20 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 21 R 8.67 4.98 0.00 1.80 1.82 0.00 3.19 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 22 H 9.30 5.01 0.00 3.13 3.24 0.00 5.26 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.53 4.78 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 V 8.63 4.55 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 1.03 0.00 0.00 0.91 0.00 0.00 25 K 8.73 4.71 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 26 V 8.30 4.53 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 0.81 0.00 0.00 1.09 0.00 0.00 27 T 8.03 4.21 4.15 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 1.05 0.00 0.00 28 P 0.00 2.97 0.00 1.80 1.13 0.00 3.30 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.50 0.00 29 S 7.52 4.50 0.00 3.92 3.90 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 0.00 0.00 0.00 30 T 7.25 4.35 4.43 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 1.22 0.00 0.00 31 V 8.20 4.15 2.14 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 0.84 0.00 0.00 0.97 0.00 0.00 32 L 8.20 4.18 0.00 2.05 1.89 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.95 4.31 0.00 1.95 2.13 0.95 0.62 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 34 Q 8.10 4.00 0.00 2.38 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 35 V 7.62 3.59 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 1.01 0.00 0.00 1.03 0.00 0.00 36 L 9.25 3.97 0.00 1.84 1.84 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.84 4.12 0.00 2.08 2.01 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 2.38 2.54 0.00 38 D 8.24 4.32 0.00 2.96 2.71 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 0.00 0.00 0.00 0.00 39 T 8.60 3.80 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 1.34 0.00 0.00 40 C 8.61 4.04 0.00 3.27 3.34 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 0.00 0.00 0.00 0.00 41 R 8.25 4.06 0.00 2.05 2.49 0.00 2.78 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 42 R 8.14 4.00 0.00 1.94 2.09 0.00 3.06 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 43 Q 8.56 4.22 0.00 1.62 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.45 0.00 0.00 0.00 0.00 0.00 2.25 1.32 0.00 44 D 7.22 4.45 0.00 2.98 2.96 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 45 F 9.50 5.34 0.00 2.79 3.09 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 0.00 0.00 0.00 0.00 46 N 8.57 5.25 0.00 2.67 2.60 0.00 0.00 6.57 8.03 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 47 P 0.00 4.66 0.00 2.26 2.38 0.00 3.90 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 2.10 1.97 0.00 48 S 8.00 4.74 0.00 3.85 3.84 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 49 E 7.63 4.91 0.00 1.26 1.16 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 2.00 1.86 0.00 50 Y 8.16 5.51 0.00 3.08 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 51 D 10.61 5.10 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.73 5.31 0.00 1.65 1.57 1.01 0.67 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 53 K 9.10 4.99 0.00 1.77 1.60 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.52 7.81 54 F 9.87 4.97 0.00 3.07 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 9.17 3.30 0.00 1.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 1.95 2.19 0.00 56 R 8.54 4.43 0.00 1.62 1.77 0.00 3.12 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 57 T 7.65 4.52 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 1.32 0.00 0.00 58 V 8.30 4.00 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 0.62 0.00 0.00 0.94 0.00 0.00 59 L 10.70 4.72 0.00 1.68 1.61 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.38 4.49 0.00 2.77 2.38 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 0.00 61 L 8.88 4.26 0.00 1.70 1.73 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.77 4.60 0.00 3.95 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 63 L 7.55 4.63 0.00 1.68 1.65 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.34 4.61 0.00 2.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 65 W 8.55 4.54 0.00 3.65 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 66 R 7.74 4.07 0.00 1.72 2.08 0.00 2.93 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 1.80 1.58 0.00 67 F 7.97 4.61 0.00 3.23 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 68 A 9.74 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.90 3.81 0.00 2.85 2.90 0.00 0.00 7.31 8.19 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 70 L 5.69 3.84 0.00 0.27 0.32 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.40 0.00 2.05 2.06 0.00 2.71 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 72 N 8.41 4.03 0.00 2.93 3.02 0.00 0.00 5.95 6.97 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 73 N 9.10 4.43 0.00 2.85 2.88 0.00 0.00 7.70 7.98 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 74 A 7.79 2.97 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 75 K 7.63 4.70 0.00 1.76 1.80 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 76 L 10.52 4.98 0.00 1.58 1.63 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.15 4.86 0.00 1.97 1.89 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 2.31 2.38 0.00 78 M 8.69 4.96 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 79 V 9.31 4.75 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 0.77 0.00 0.00 0.97 0.00 0.00 80 P 0.00 5.04 0.00 2.08 2.20 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 81 V 7.22 3.89 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 0.74 0.00 0.00 0.92 0.00 0.00 82 S 7.55 4.62 0.00 3.91 3.74 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 0.00 83 R 8.36 4.43 0.00 1.96 1.91 0.00 3.32 0.00 0.00 3.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 84 S 8.25 4.70 0.00 3.87 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 85 R 8.26 4.10 0.00 1.76 1.76 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00