NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4710 8.3344 115.4144 57.7578 65.1945 173.4634 2 S 4.3417 7.7491 114.7492 55.5936 65.1020 172.0507 3 C 3.9055 9.9148 125.8179 56.8639 40.9339 171.2025 4 P 4.4438 0.0000 0.0000 63.5230 31.0852 176.0244 5 G 3.7788 7.7752 119.7423 45.0659 0.0000 172.8855 6 K 4.0571 8.7647 128.3256 54.6553 32.4882 175.9313 7 S 4.1793 8.0379 122.6451 60.1669 63.4172 173.3272 8 S 5.0351 7.0503 115.0701 56.2765 65.4176 173.8832 9 W 4.5546 9.7836 124.0066 54.7109 29.7412 177.2497 10 P 4.8015 0.0000 0.0000 63.0534 32.9039 179.2037 11 H 4.7527 9.1038 118.1510 54.8431 28.6977 173.4782 12 L 4.4908 8.2559 125.1130 55.6178 43.5023 177.5252 13 V 3.6717 7.7354 117.9133 64.9112 31.4913 175.5365 14 G 4.0513 8.6440 112.7160 45.4745 0.0000 173.3591 15 V 4.2726 7.7712 116.9568 61.8730 32.5276 175.0388 16 G 3.9584 8.3897 107.2225 45.6982 0.0000 175.2204 17 G 3.5002 8.8031 110.9451 47.6970 0.0000 175.6346 18 S 4.0562 8.0941 116.8890 61.3501 62.6971 176.3731 19 V 3.5258 7.8561 121.6065 65.5218 30.9891 177.3996 20 A 3.9696 7.6375 118.7765 55.0831 18.4478 179.1166 21 K 3.8406 8.4721 117.9580 59.6882 32.3103 178.7071 22 A 4.0260 8.0978 120.9377 55.4722 18.2751 179.7210 23 I 4.0827 7.9575 117.9832 64.2667 37.0861 178.9288 24 I 4.1707 7.7334 121.0105 64.7184 36.8673 178.3327 25 E 4.2383 8.1648 118.9156 59.2231 29.1374 179.2415 26 R 3.9553 8.4567 118.7479 59.3035 30.2458 177.9088 27 Q 4.2739 8.5428 118.9532 57.6792 30.6778 175.7220 28 N 5.0274 8.7218 118.4092 51.1900 39.4276 172.6540 29 P 4.7227 0.0000 0.0000 63.4413 32.1129 177.4617 30 N 4.5552 8.2274 115.3592 55.4463 39.0163 175.8272 31 V 4.3898 7.6386 110.2657 60.5135 33.1710 176.3807 32 K 4.4355 8.7344 122.9533 55.7679 33.5799 175.6577 33 A 5.0849 8.4639 125.5073 50.5268 21.1023 176.2223 34 V 4.5052 8.2466 113.4698 59.6964 36.5420 174.8368 35 I 4.9425 7.8122 121.6076 60.0500 40.8511 174.5516 36 L 4.4378 8.8223 126.3222 54.6931 44.0697 174.0305 37 E 5.4485 8.5494 117.4752 54.5174 31.2924 175.7105 38 E 3.6249 8.9437 121.1204 59.2184 29.7323 173.9555 39 G 3.8501 8.9328 122.1933 46.0157 0.0000 173.7214 40 T 3.9712 9.9757 125.6459 62.8817 69.0880 172.0436 41 P 4.3187 0.0000 0.0000 62.7022 32.0393 176.6814 42 V 4.8507 7.8022 113.3111 60.4329 36.4591 175.5623 43 T 4.1598 7.9743 114.4474 60.6827 72.2662 175.0797 44 K 3.8637 9.1273 119.0595 59.2980 32.1926 176.3816 45 D 4.6013 8.0700 118.7408 53.6785 41.6367 174.5804 46 F 4.7373 8.3686 126.6966 57.6104 42.4359 173.3454 47 R 4.2834 6.5151 122.4211 54.6312 29.4807 178.1004 48 C 4.4642 8.9492 122.0576 59.9852 41.2119 174.5481 49 N 5.0016 7.9814 116.0248 52.7441 38.1800 175.1268 50 R 5.1010 8.1331 118.1479 56.1322 34.8578 175.0591 51 V 4.3401 8.8164 124.7368 61.2335 33.1649 175.2280 52 R 4.6704 8.7011 126.8264 55.6537 31.9465 176.4571 53 I 4.4288 8.0977 120.5414 59.4942 40.4264 175.7261 54 W 5.4383 8.7155 127.0330 55.8053 31.2876 176.1166 55 V 4.8481 8.4127 113.5683 59.9691 35.6258 173.8115 56 N 5.2217 9.0581 123.2688 50.8770 38.7997 176.2429 57 K 3.8586 9.1305 122.8535 59.2293 32.3484 177.9974 58 R 3.9075 8.0066 116.8157 58.0677 30.0845 176.8199 59 G 4.0790 9.7667 106.3713 44.9853 0.0000 173.2596 60 L 4.4222 7.5620 116.0252 53.3668 44.7635 175.5668 61 V 4.4706 8.0468 121.1555 62.7694 33.6287 176.5177 62 V 4.7243 8.8117 112.8881 60.3943 33.4430 174.0896 63 S 4.5680 7.7606 114.2194 56.1110 63.9104 172.9962 64 P 4.3045 0.0000 0.0000 62.3460 30.5908 175.9198 65 P 5.0149 0.0000 0.0000 62.0096 30.7692 176.2552 66 R 5.2038 8.6034 114.6412 55.1535 32.3513 174.4268 67 I 4.4961 8.4090 123.2881 59.3123 40.2735 175.9966 68 G 3.8824 8.6408 109.1782 46.7217 0.0000 173.9404 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 1 S 8.33 4.47 0.00 4.00 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 0.00 2 S 7.75 4.34 0.00 3.88 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 3 C 9.91 3.91 0.00 3.05 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 4 P 0.00 4.44 0.00 2.05 2.06 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 5 G 7.78 3.78 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 0.00 6 K 8.76 4.06 0.00 1.61 1.70 0.00 1.26 0.00 0.00 0.91 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.47 7.81 7 S 8.04 4.18 0.00 3.99 3.98 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 0.00 0.00 0.00 0.00 8 S 7.05 5.04 0.00 4.02 3.86 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 9 W 9.78 4.55 0.00 3.30 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 10 P 0.00 4.80 0.00 2.15 1.69 0.00 4.04 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 11 H 9.10 4.75 0.00 3.13 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.26 4.49 0.00 1.81 1.65 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.74 3.67 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 0.80 0.00 0.00 0.97 0.00 0.00 14 G 8.64 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 0.00 0.00 0.00 15 V 7.77 4.27 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 0.77 0.00 0.00 0.98 0.00 0.00 16 G 8.39 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 0.00 0.00 0.00 17 G 8.80 3.50 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 0.00 0.00 0.00 18 S 8.09 4.06 0.00 4.04 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 19 V 7.86 3.53 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 1.14 0.00 0.00 0.93 0.00 0.00 20 A 7.64 3.97 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 21 K 8.47 3.84 0.00 1.70 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 22 A 8.10 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.96 4.08 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 1.26 0.00 0.00 24 I 7.73 4.17 2.02 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.19 0.88 0.00 0.00 25 E 8.16 4.24 0.00 2.04 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 0.00 2.42 2.36 0.00 26 R 8.46 3.96 0.00 2.07 2.03 0.00 3.45 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 27 Q 8.54 4.27 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 28 N 8.72 5.03 0.00 2.81 2.86 0.00 0.00 7.31 7.79 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 29 P 0.00 4.72 0.00 2.10 2.12 0.00 3.80 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 30 N 8.23 4.56 0.00 2.87 2.89 0.00 0.00 6.97 7.69 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 31 V 7.64 4.39 2.25 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 0.89 0.00 0.00 1.20 0.00 0.00 32 K 8.73 4.44 0.00 1.65 1.67 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 33 A 8.46 5.08 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 34 V 8.25 4.51 1.93 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 0.69 0.00 0.00 0.65 0.00 0.00 35 I 7.81 4.94 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.36 0.88 0.00 0.00 36 L 8.82 4.44 0.00 1.33 1.43 -0.50 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.55 5.45 0.00 2.15 2.04 0.00 0.00 0.00 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 2.25 0.00 38 E 8.94 3.62 0.00 2.05 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 2.05 2.19 0.00 39 G 8.93 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 40 T 9.98 3.97 4.69 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 1.38 0.00 0.00 41 P 0.00 4.32 0.00 2.04 1.94 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 42 V 7.80 4.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.89 0.00 0.00 43 T 7.97 4.16 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 1.20 0.00 0.00 44 K 9.13 3.86 0.00 1.75 1.95 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 45 D 8.07 4.60 0.00 2.85 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 46 F 8.37 4.74 0.00 2.98 2.97 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 0.00 0.00 0.00 0.00 47 R 6.52 4.28 0.00 1.41 1.70 0.00 3.25 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 48 C 8.95 4.46 0.00 3.01 3.24 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 49 N 7.98 5.00 0.00 2.79 3.05 0.00 0.00 6.03 7.64 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 50 R 8.13 5.10 0.00 1.61 1.68 0.00 2.98 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 51 V 8.82 4.34 1.82 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 0.15 0.00 0.00 0.96 0.00 0.00 52 R 8.70 4.67 0.00 1.74 1.57 0.00 3.35 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.86 0.00 53 I 8.10 4.43 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.78 0.85 0.00 0.00 54 W 8.72 5.44 0.00 3.55 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 55 V 8.41 4.85 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 1.00 0.00 0.00 1.07 0.00 0.00 56 N 9.06 5.22 0.00 2.76 2.95 0.00 0.00 6.61 6.82 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 57 K 9.13 3.86 0.00 1.78 1.97 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.46 7.81 58 R 8.01 3.91 0.00 1.80 2.03 0.00 3.33 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 59 G 9.77 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 0.00 0.00 0.00 0.00 60 L 7.56 4.42 0.00 1.69 1.53 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.05 4.47 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 1.14 0.00 0.00 0.94 0.00 0.00 62 V 8.81 4.72 2.18 0.00 0.00 0.00 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 1.16 0.00 0.00 63 S 7.76 4.57 0.00 3.83 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 64 P 0.00 4.30 0.00 2.16 2.04 0.00 3.94 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 65 P 0.00 5.01 0.00 2.35 2.38 0.00 3.63 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 66 R 8.60 5.20 0.00 1.73 1.90 0.00 3.02 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 67 I 8.41 4.50 2.24 0.00 0.00 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 1.49 1.07 1.18 0.00 0.00 68 G 8.64 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