NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1059 8.2549 120.8156 55.2868 32.1292 175.6912 2 P 4.1709 0.0000 0.0000 61.9700 31.9875 175.5625 3 D 4.3439 8.4440 120.3211 57.4378 41.6718 178.7477 4 F 4.2874 8.0924 114.5656 59.9168 37.5715 177.7763 5 C 4.5483 7.0287 115.8681 58.7601 40.0159 174.6383 6 L 4.3815 7.7472 119.1084 53.9132 42.1585 176.5569 7 E 4.2896 7.3423 119.0808 54.9565 30.2131 175.0379 8 P 4.4130 0.0000 0.0000 61.5341 32.1917 174.4441 9 P 3.6813 0.0000 0.0000 62.5574 31.5140 175.2392 10 Y 4.6480 7.8951 121.4182 56.1176 40.2744 175.4286 11 T 4.1791 8.3265 125.3086 65.1201 68.8741 176.2214 12 G 3.7397 6.8879 105.2199 44.0921 0.0000 171.2486 13 P 4.3424 0.0000 0.0000 64.7233 32.1869 177.7950 14 C 4.4985 7.8883 116.5683 56.9809 40.6923 173.4750 15 K 4.6271 8.1911 119.4900 56.2710 32.3862 176.6483 16 A 4.2966 7.7082 121.3678 51.2784 20.7490 177.8116 17 R 4.6515 8.1269 118.2071 54.3653 29.9485 172.5534 18 I 4.4236 8.4287 122.7197 59.0585 39.8259 174.6419 19 I 4.4654 8.2831 128.1471 60.7676 38.0318 175.2686 20 R 4.8367 8.3388 124.9680 54.6432 34.8212 173.6208 21 Y 5.6508 9.3964 117.4904 56.6258 41.1597 175.3680 22 F 5.7664 9.3985 116.4478 55.5110 42.0720 172.7458 23 Y 4.3794 9.8921 122.7581 57.1814 39.7166 174.3523 24 N 4.6961 7.9511 126.0481 51.6193 39.4566 174.9390 25 A 3.9133 8.5610 130.2589 54.8258 18.9815 178.5894 26 K 3.9825 7.9210 116.5476 59.1846 32.2585 177.5934 27 A 4.2382 7.9664 118.8904 51.6801 19.4252 177.0502 28 G 3.8119 8.4378 103.8076 45.6728 0.0000 173.1045 29 L 4.4925 6.8249 117.5661 54.4975 44.1066 174.2548 30 C 4.9241 8.5785 117.0385 56.4071 40.8820 173.3892 31 Q 4.8828 8.5141 121.9206 54.1119 32.5655 174.7451 32 T 4.9140 8.3386 110.8149 61.3179 70.8519 173.4837 33 F 4.9701 8.8037 116.7510 56.2284 42.0445 172.6937 34 V 4.4440 8.4230 119.4914 61.7222 32.5613 174.0177 35 Y 4.8262 8.7103 130.0048 55.9690 40.5332 176.2806 36 G 3.9306 8.2963 113.3047 46.0667 0.0000 175.0450 37 G 3.7873 6.6313 107.8063 45.1361 0.0000 172.3313 38 C 4.9577 6.8140 111.9556 54.6832 44.6307 173.0694 39 R 3.8502 8.8522 115.9857 56.8460 27.1829 176.8381 40 A 4.2154 8.4602 118.9037 52.7177 18.8840 178.2880 41 K 4.4100 8.2376 120.2973 54.7179 34.1371 177.2320 42 R 3.6604 8.1210 118.1109 59.0104 30.3655 177.6661 43 N 4.8340 7.8925 117.8870 51.2398 37.3546 173.9124 44 N 5.0159 6.5969 116.0735 52.9494 41.2649 173.1428 45 F 5.0323 9.4377 124.8889 55.6131 42.4828 176.5444 46 K 4.3727 8.8466 121.6162 58.1186 32.8238 177.6447 47 S 4.4232 7.6862 112.7196 55.5683 67.1402 174.6243 48 A 3.3693 7.3825 124.3739 55.0491 18.1136 179.9664 49 E 3.8241 7.8006 116.6428 59.6442 29.5684 179.1857 50 D 4.3042 7.9316 118.8703 57.2603 40.8110 177.9901 51 C 2.4500 7.6344 118.4779 59.4348 44.6192 175.6006 52 M 3.8738 8.1256 120.6596 58.2626 31.2475 178.7825 53 R 3.7914 7.6703 118.0408 59.5689 30.3161 178.4172 54 T 4.1364 7.5176 114.4632 65.8906 69.0781 175.0097 55 C 4.3548 8.1495 116.2915 55.9693 41.7024 174.0205 56 G 3.8968 7.4703 109.4891 47.5197 0.0000 174.0132 57 G 3.8541 8.9482 112.8237 44.9670 0.0000 173.0224 58 A 4.0260 7.1657 127.2416 52.3453 18.2308 177.3143 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 R 8.25 4.11 0.00 1.68 1.93 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 2 P 0.00 4.17 0.00 1.22 1.82 0.00 3.30 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 1.36 2.03 0.00 3 D 8.44 4.34 0.00 2.73 2.73 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 4 F 8.09 4.29 0.00 3.28 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 5 C 7.03 4.55 0.00 2.81 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 6 L 7.75 4.38 0.00 1.73 1.75 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.34 4.29 0.00 2.14 1.90 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 2.42 2.44 0.00 8 P 0.00 4.41 0.00 2.08 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.68 0.00 0.68 0.49 0.00 3.26 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 10 Y 7.90 4.65 0.00 2.81 2.92 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 0.00 11 T 8.33 4.18 4.13 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 1.19 0.00 0.00 12 G 6.89 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 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.89 4.50 0.00 2.81 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 15 K 8.19 4.63 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.71 4.30 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 0.00 0.00 0.00 0.00 0.00 17 R 8.13 4.65 0.00 1.72 1.75 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 I 8.43 4.42 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.36 0.97 0.00 0.00 19 I 8.28 4.47 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.43 0.74 0.00 0.00 20 R 8.34 4.84 0.00 0.96 1.91 0.00 3.46 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 21 Y 9.40 5.65 0.00 3.19 3.03 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 0.00 0.00 0.00 22 F 9.40 5.77 0.00 3.18 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 23 Y 9.89 4.38 0.00 2.97 3.16 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 24 N 7.95 4.70 0.00 2.23 2.42 0.00 0.00 6.69 7.52 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 25 A 8.56 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.98 0.00 1.68 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 A 7.97 4.24 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.44 3.81 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 0.00 29 L 6.82 4.49 0.00 1.63 1.67 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.58 4.92 0.00 2.90 3.18 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 0.00 0.00 0.00 0.00 31 Q 8.51 4.88 0.00 1.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 32 T 8.34 4.91 4.06 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 0.00 0.00 0.65 0.00 0.00 33 F 8.80 4.97 0.00 3.12 3.20 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 0.00 34 V 8.42 4.44 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.71 4.83 0.00 2.53 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 36 G 8.30 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 37 G 6.63 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 0.00 0.00 0.00 38 C 6.81 4.96 0.00 3.05 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 39 R 8.85 3.85 0.00 2.21 2.26 0.00 3.32 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.46 4.22 1.05 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 41 K 8.24 4.41 0.00 1.74 1.69 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.13 1.16 7.81 42 R 8.12 3.66 0.00 1.15 0.83 0.00 2.35 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 43 N 7.89 4.83 0.00 3.16 2.89 0.00 0.00 6.70 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 44 N 6.60 5.02 0.00 2.68 2.58 0.00 0.00 7.09 7.02 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 45 F 9.44 5.03 0.00 3.32 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 46 K 8.85 4.37 0.00 1.84 1.95 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.69 4.42 0.00 3.99 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 48 A 7.38 3.37 0.99 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 49 E 7.80 3.82 0.00 1.98 1.94 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 2.34 2.39 0.00 50 D 7.93 4.30 0.00 2.93 2.88 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 51 C 7.63 2.45 0.00 2.75 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 52 M 8.13 3.87 0.00 1.96 1.99 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 2.56 2.76 0.00 53 R 7.67 3.79 0.00 1.89 2.01 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.52 4.14 4.18 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 0.00 0.00 0.00 1.59 0.00 0.00 55 C 8.15 4.35 0.00 2.71 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 0.00 0.00 0.00 0.00 56 G 7.47 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 57 G 8.95 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 58 A 7.17 4.03 0.96 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