NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0066 8.3544 109.7234 45.1137 0.0000 176.5241 2 E 4.1669 9.4159 122.6115 55.6292 31.4399 173.1379 3 W 5.6189 8.5955 124.5364 54.9969 33.3779 173.9403 4 E 4.8550 9.4960 121.3576 54.9033 33.0357 174.4686 5 I 4.6087 8.5424 123.4396 61.5245 37.4601 175.5857 6 I 4.4319 8.2367 121.2539 59.3579 39.8476 174.7195 7 D 4.7720 8.4409 122.0774 52.9524 42.7897 177.0183 8 I 4.1119 8.1895 119.2214 60.2502 36.1775 174.7957 9 G 4.1233 7.4747 110.9385 42.9288 0.0000 169.5858 10 P 4.3704 0.0000 0.0000 66.4486 30.1501 178.0302 11 F 4.1765 8.2533 119.4611 61.2067 39.4598 177.0468 12 T 4.0271 8.5347 115.8681 65.9402 68.2403 177.1035 13 Q 4.1385 7.9584 119.8442 59.1283 28.8331 177.8604 14 N 4.0778 8.2492 117.7423 56.5696 38.5925 177.2617 15 L 3.8326 7.3342 119.3276 57.6786 41.6331 179.9199 16 G 3.7800 7.9762 105.0453 47.6938 0.0000 175.6644 17 K 3.1801 7.5497 121.2472 59.0322 31.9866 178.9991 18 F 4.0306 8.3165 120.5434 61.1493 39.2353 176.7634 19 A 4.0362 8.2179 120.3212 55.3496 18.2089 179.4850 20 V 3.5214 7.9447 116.3731 66.5156 31.1761 177.8059 21 D 4.3619 8.0745 118.2787 57.6339 40.4793 178.9068 22 E 3.8608 7.9283 117.8321 58.7339 29.5625 178.6373 23 E 4.0757 8.0790 119.9324 59.2116 29.5168 178.2661 24 N 4.1858 8.3734 116.0043 56.3809 38.6066 177.0977 25 K 4.1183 7.5068 118.3058 58.6510 32.5469 178.5153 26 I 4.1843 8.5523 120.1671 60.6334 37.7899 177.5656 27 G 3.9138 8.0233 105.9314 45.4307 0.0000 174.6601 28 Q 4.1115 7.5021 120.4405 58.5616 28.9589 177.0606 29 Y 4.5844 7.7323 113.2848 57.3231 40.6910 177.5414 30 G 3.8533 9.7065 115.5338 46.1664 0.0000 176.6716 31 R 4.8547 8.9988 116.5719 54.5512 33.6171 172.8249 32 L 4.8134 9.3640 124.7195 53.0876 44.9836 175.6938 33 T 4.4769 8.2792 116.7078 59.8998 68.5708 174.1385 34 F 4.2629 8.9025 131.3231 58.6167 39.2916 172.3870 35 N 4.6110 7.3560 122.7367 52.9169 41.8411 174.0726 36 K 4.1101 6.8026 118.0559 55.6530 35.6610 175.4241 37 V 4.0213 8.2275 120.7517 61.7669 32.3286 175.7063 38 I 4.4026 7.9667 119.8968 59.0030 39.9479 174.8511 39 R 4.3511 8.1489 119.4415 54.7824 30.8627 174.8218 40 P 4.6205 0.0000 0.0000 62.2593 32.9195 174.6482 41 C 4.9156 8.4629 120.4961 57.9586 34.2277 171.9409 42 M 5.4362 8.6863 124.5865 53.7059 34.9955 173.9976 43 K 4.6934 9.4597 125.3592 54.8816 35.8592 174.8575 44 K 4.3390 8.1516 123.1912 54.7870 34.2303 175.0802 45 T 4.2085 8.1854 124.7171 62.3075 69.7750 174.4640 46 I 4.2407 7.8228 126.2760 59.7959 39.1638 174.9671 47 Y 4.3641 8.2549 122.1274 58.9391 39.3604 175.8918 48 E 4.5422 7.8175 116.5288 55.3366 32.5054 173.5630 49 N 4.9290 8.6333 124.8503 51.5137 41.0875 173.7962 50 E 4.1337 8.6962 124.2480 56.5388 29.7653 176.1843 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 4.01 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 0.00 0.00 0.00 2 E 9.42 4.17 0.00 2.33 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 0.00 2.48 2.49 0.00 3 W 8.60 5.62 0.00 3.10 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 4 E 9.50 4.85 0.00 2.02 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 0.00 2.23 2.34 0.00 5 I 8.54 4.61 1.91 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 1.45 0.59 0.94 0.00 0.00 6 I 8.24 4.43 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 1.00 0.00 0.00 7 D 8.44 4.77 0.00 2.66 2.62 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 0.00 8 I 8.19 4.11 1.91 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 1.37 0.74 0.94 0.00 0.00 9 G 7.47 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 0.00 0.00 0.00 10 P 0.00 4.37 0.00 2.33 2.41 0.00 3.75 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 2.15 2.10 0.00 11 F 8.25 4.18 0.00 3.08 3.04 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 0.00 0.00 0.00 12 T 8.53 4.03 4.46 0.00 0.00 0.00 0.00 0.00 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 13 Q 7.96 4.14 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 14 N 8.25 4.08 0.00 2.59 2.70 0.00 0.00 7.11 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 15 L 7.33 3.83 0.00 1.70 1.58 0.60 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.98 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 17 K 7.55 3.18 0.00 1.63 1.58 0.00 1.42 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.37 0.21 7.81 18 F 8.32 4.03 0.00 2.89 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 19 A 8.22 4.04 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.94 3.52 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 1.11 0.00 0.00 1.17 0.00 0.00 21 D 8.07 4.36 0.00 2.60 2.62 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 0.00 22 E 7.93 3.86 0.00 1.57 1.73 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 1.88 1.47 0.00 23 E 8.08 4.08 0.00 2.18 2.07 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 2.33 2.48 0.00 24 N 8.37 4.19 0.00 2.89 2.88 0.00 0.00 7.10 7.32 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 25 K 7.51 4.12 0.00 1.82 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.53 7.81 26 I 8.55 4.18 2.15 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 1.45 0.89 0.97 0.00 0.00 27 G 8.02 3.91 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 0.00 0.00 0.00 28 Q 7.50 4.11 0.00 2.25 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 7.26 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 29 Y 7.73 4.58 0.00 2.93 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 30 G 9.71 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 31 R 9.00 4.85 0.00 1.71 1.77 0.00 3.23 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 32 L 9.36 4.81 0.00 1.59 1.53 0.95 0.84 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 33 T 8.28 4.48 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 1.22 0.00 0.00 34 F 8.90 4.26 0.00 2.92 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 35 N 7.36 4.61 0.00 2.50 2.49 0.00 0.00 6.84 7.61 0.00 0.00 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 K 6.80 4.11 0.00 1.70 1.54 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.31 7.81 37 V 8.23 4.02 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 0.85 0.00 0.00 1.09 0.00 0.00 38 I 7.97 4.40 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.88 0.00 0.00 39 R 8.15 4.35 0.00 1.83 1.91 0.00 3.21 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 40 P 0.00 4.62 0.00 2.20 2.05 0.00 3.73 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 1.97 1.95 0.00 41 C 8.46 4.92 0.00 3.05 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 42 M 8.69 5.44 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.96 0.00 43 K 9.46 4.69 0.00 1.79 1.90 0.00 1.23 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.29 7.81 44 K 8.15 4.34 0.00 0.79 0.90 0.00 0.96 0.00 0.00 0.65 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.71 0.53 7.81 45 T 8.19 4.21 4.04 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 0.00 0.00 0.67 0.00 0.00 46 I 7.82 4.24 1.69 0.00 0.00 0.75 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 0.36 0.83 0.00 0.00 47 Y 8.25 4.36 0.00 2.98 2.98 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 48 E 7.82 4.54 0.00 1.93 1.81 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 2.16 2.21 0.00 49 N 8.63 4.93 0.00 2.67 2.64 0.00 0.00 7.16 7.65 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 50 E 8.70 4.13 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00