NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9886 8.3549 109.7382 45.7305 0.0000 172.2100 2 S 4.2443 8.3847 116.5237 59.3043 65.2284 173.1367 3 S 4.2337 8.3911 117.0833 59.4589 64.9500 173.5648 4 G 4.1553 7.7596 118.9097 46.6892 0.0000 176.2208 5 S 4.5941 8.9892 118.1384 57.6997 64.0371 173.3935 6 S 4.5087 9.2662 117.3076 58.9088 63.7999 175.7425 7 G 4.8912 7.3147 125.5451 45.8468 0.0000 171.6511 8 L 4.1745 7.3104 126.2773 53.7530 42.6710 176.7572 9 P 4.1674 0.0000 0.0000 64.1130 31.5001 175.9014 10 W 4.8478 6.4703 116.1879 53.7923 30.7086 174.7638 11 C 3.8879 8.8253 117.2141 60.3328 30.8569 173.7446 12 C 4.2706 8.5947 126.5024 60.8663 30.8962 173.5849 13 I 4.2325 7.2100 118.0450 63.3430 38.2426 176.2866 14 C 4.2165 7.8689 114.7548 58.2615 30.5702 173.4094 15 N 4.2946 7.9483 116.2067 54.2537 35.7583 175.1836 16 E 4.1146 8.1683 115.6146 57.2956 30.9122 175.9308 17 D 4.3334 7.6595 119.0266 52.7206 42.5146 174.0404 18 A 4.5519 8.7956 129.7295 51.6834 19.2549 176.4865 19 T 4.6610 8.7421 115.9358 61.6766 68.7709 173.3406 20 L 4.9230 7.6695 118.5782 53.7852 46.9377 174.9344 21 R 4.7903 8.6002 121.1210 54.6053 33.1097 173.7081 22 C 4.6521 9.1462 128.7002 59.1409 32.0375 174.4011 23 A 4.1182 8.8471 129.8498 54.8598 18.4450 179.6309 24 G 3.5307 8.0966 103.5042 47.9756 0.0000 173.7718 25 C 4.6411 8.0543 117.2039 59.6362 28.6951 172.8701 26 D 4.8423 8.0570 116.1534 55.7069 39.0630 173.6407 27 G 3.8957 8.1606 101.2032 46.3062 0.0000 174.0235 28 D 4.3870 7.5752 120.1650 53.6682 42.0257 176.1165 29 L 4.4460 8.2899 124.6348 54.8917 42.9411 175.9188 30 Y 5.0270 9.2053 121.2868 56.4247 42.2945 174.0684 31 C 5.0515 8.5728 114.7325 56.9740 32.6784 173.8450 32 A 4.1964 8.7935 119.8326 53.5069 18.2381 178.0372 33 R 4.2904 7.1938 114.9631 56.7123 30.7962 177.1361 34 C 4.1332 8.1301 116.8065 62.9162 28.6376 175.8407 35 F 4.1233 8.0499 122.6684 61.0329 38.8818 177.1142 36 R 3.8202 8.0641 115.6282 58.3563 29.0484 178.1832 37 E 4.1615 8.3069 120.4275 59.1207 29.1801 178.4251 38 G 3.7808 7.6081 104.0465 45.8670 0.0000 174.0769 39 H 3.9934 8.1687 118.2066 55.9926 28.3459 175.2846 40 D 4.7143 7.7572 114.9335 53.5436 42.9678 174.5656 41 N 4.7047 8.0055 112.4254 54.7777 39.5410 174.6656 42 F 4.3345 8.0508 118.4907 57.9272 39.6763 173.7614 43 D 4.5528 6.8806 118.0639 54.0362 40.7133 178.5121 44 L 4.1035 8.1744 121.3221 57.2432 41.9573 179.7845 45 K 3.9274 7.9981 116.9142 59.2732 32.3216 176.9655 46 E 4.4950 8.0840 117.5393 58.0211 31.0524 176.3109 47 H 4.5606 7.8648 116.2969 56.5263 26.2996 173.7575 48 Q 4.3281 8.2765 119.1033 55.8355 29.7351 175.7878 49 T 5.4440 8.3933 114.5761 60.2776 71.1026 174.0287 50 S 4.7213 8.1259 116.4289 56.0578 67.7412 172.4677 51 P 5.0883 0.0000 0.0000 63.1220 28.6326 174.4356 52 Y 4.2202 8.0821 128.6453 58.2884 40.1260 174.5131 53 H 4.5699 7.5242 120.7273 52.6937 29.6259 171.3995 54 P 4.4253 0.0000 0.0000 62.3241 32.7939 176.4086 55 R 4.0641 8.3205 115.3921 59.3236 29.5680 177.3507 56 R 3.6362 7.7024 112.7113 56.8414 28.1561 175.9962 57 P 4.4029 0.0000 0.0000 65.6469 32.2068 177.9936 58 C 4.9073 7.7325 117.7099 58.0308 31.8552 172.9980 59 Q 4.3801 8.0347 117.0964 55.4385 29.6854 174.2561 60 E 4.7695 8.2164 114.6014 55.0734 33.0800 175.1598 61 H 4.9993 8.3608 114.3058 53.6437 28.9256 172.5857 62 S 4.6485 7.4318 114.8562 57.3471 67.6728 175.8830 63 G 3.9948 8.2139 111.7778 44.4914 0.0000 171.4843 64 P 4.4284 0.0000 0.0000 62.7431 32.0860 175.5751 65 S 4.7338 8.3204 114.3740 56.5361 65.6347 172.9063 66 S 4.5374 8.8103 118.7661 56.9206 65.2367 174.0354 67 G 3.9308 9.1299 114.8754 45.8572 0.0000 173.5555 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 G 8.35 3.99 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 0.00 0.00 0.00 2 S 8.38 4.24 0.00 3.90 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 3 S 8.39 4.23 0.00 3.86 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 4 G 7.76 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.99 4.59 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 6 S 9.27 4.51 0.00 3.84 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 7 G 7.31 4.89 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 0.00 0.00 0.00 8 L 7.31 4.17 0.00 1.94 1.74 1.11 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.17 0.00 1.84 1.93 0.00 3.00 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 10 W 6.47 4.85 0.00 3.52 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.83 3.89 0.00 3.04 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 12 C 8.59 4.27 0.00 2.56 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 0.00 0.00 0.00 0.00 13 I 7.21 4.23 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.97 0.00 0.00 14 C 7.87 4.22 0.00 3.00 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 15 N 7.95 4.29 0.00 2.15 1.69 0.00 0.00 7.08 7.26 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 16 E 8.17 4.11 0.00 2.03 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 0.00 2.21 2.31 0.00 17 D 7.66 4.33 0.00 2.67 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 A 8.80 4.55 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 19 T 8.74 4.66 4.28 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 1.24 0.00 0.00 20 L 7.67 4.92 0.00 1.26 1.11 0.62 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.60 4.79 0.00 1.77 1.76 0.00 2.93 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 22 C 9.15 4.65 0.00 3.15 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 23 A 8.85 4.12 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 24 G 8.10 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.05 4.64 0.00 3.20 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 26 D 8.06 4.84 0.00 2.79 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 27 G 8.16 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 28 D 7.58 4.39 0.00 2.88 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.45 0.00 1.37 1.33 0.45 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 9.21 5.03 0.00 2.69 2.90 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 31 C 8.57 5.05 0.00 3.06 3.28 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 32 A 8.79 4.20 1.35 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 0.00 0.00 0.00 33 R 7.19 4.29 0.00 1.89 1.81 0.00 3.43 0.00 0.00 3.48 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 34 C 8.13 4.13 0.00 3.25 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 35 F 8.05 4.12 0.00 3.32 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 36 R 8.06 3.82 0.00 2.01 2.15 0.00 3.24 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 37 E 8.31 4.16 0.00 2.23 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 2.32 2.50 0.00 38 G 7.61 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 39 H 8.17 3.99 0.00 1.49 1.78 0.00 5.80 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.76 4.71 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.70 0.00 2.82 2.81 0.00 0.00 6.89 7.25 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 42 F 8.05 4.33 0.00 2.77 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 43 D 6.88 4.55 0.00 2.29 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 44 L 8.17 4.10 0.00 1.66 1.79 0.88 0.60 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 45 K 8.00 3.93 0.00 1.85 1.98 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.56 7.81 46 E 8.08 4.49 0.00 2.04 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 2.26 2.40 0.00 47 H 7.86 4.56 0.00 3.30 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.28 4.33 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.63 2.33 0.00 49 T 8.39 5.44 4.02 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 0.93 0.00 0.00 50 S 8.13 4.72 0.00 3.75 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 51 P 0.00 5.09 0.00 2.01 2.06 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 52 Y 8.08 4.22 0.00 2.93 2.87 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 53 H 7.52 4.57 0.00 3.05 3.15 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.43 0.00 2.22 2.51 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 55 R 8.32 4.06 0.00 1.73 1.91 0.00 3.30 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 56 R 7.70 3.64 0.00 1.85 2.00 0.00 3.18 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 57 P 0.00 4.40 0.00 2.26 2.07 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 58 C 7.73 4.91 0.00 3.11 3.07 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 59 Q 8.03 4.38 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 60 E 8.22 4.77 0.00 2.04 1.91 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 2.16 2.25 0.00 61 H 8.36 5.00 0.00 3.11 3.24 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.43 4.65 0.00 3.83 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 63 G 8.21 3.99 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 0.00 0.00 0.00 64 P 0.00 4.43 0.00 2.20 2.07 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 65 S 8.32 4.73 0.00 3.80 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 66 S 8.81 4.54 0.00 3.81 3.66 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 0.00 0.00 0.00 0.00 67 G 9.13 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