NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3239 8.2549 117.2812 54.8709 30.8086 175.0519 2 P 4.0522 0.0000 0.0000 61.8731 32.0073 174.4595 3 D 4.4571 8.4657 122.8479 53.1524 42.2540 176.6569 4 F 4.4691 8.4375 122.4437 59.4402 38.1357 177.7896 5 C 4.6672 8.1078 118.3850 59.0880 40.0437 174.1694 6 L 4.4636 7.7461 117.9495 54.5482 41.7846 176.5080 7 E 4.3219 7.8199 119.5048 54.9054 30.1935 175.0928 8 P 4.3631 0.0000 0.0000 61.5034 32.0851 174.6281 9 P 3.6434 0.0000 0.0000 62.7347 31.3875 175.1389 10 Y 4.6544 7.9452 121.9214 56.0885 40.3261 175.3932 11 T 4.1619 8.2855 125.2146 64.9877 68.8845 176.1372 12 G 3.7456 6.7278 104.8811 44.0386 0.0000 171.3293 13 P 4.3121 0.0000 0.0000 65.0299 32.0875 177.4679 14 S 4.2888 7.7655 114.7152 58.5583 63.2839 174.0151 15 K 4.5264 8.1922 120.0562 56.3292 32.5219 176.7156 16 A 4.2882 7.6998 120.7762 51.2886 20.6166 177.6281 17 R 4.6455 8.1613 118.8770 54.3450 29.7644 172.9856 18 I 4.3766 8.2880 122.6503 59.2173 39.6541 174.8935 19 I 4.4069 8.2842 128.3103 60.9214 37.8576 175.3247 20 R 4.8709 8.3404 125.0673 54.6053 34.8268 173.6840 21 Y 5.6412 9.4397 117.7896 56.6323 40.8968 175.3781 22 F 5.7385 9.4343 116.7906 55.4464 41.8345 172.8732 23 Y 4.3896 10.1682 122.9252 57.2553 39.9865 173.8061 24 N 4.4869 8.0885 126.8419 51.7924 38.9170 175.1026 25 A 3.7983 8.4722 130.0486 54.8969 18.9156 178.6515 26 K 3.9912 8.2068 115.5472 59.2043 32.3663 177.4901 27 A 4.1942 7.7595 119.8346 51.9321 19.1630 177.1352 28 G 3.8592 8.5948 104.0460 45.4087 0.0000 173.2494 29 L 4.5286 6.7544 116.5983 54.4084 43.8190 174.4222 30 C 4.8954 8.7488 118.0447 57.0009 41.6562 173.1331 31 Q 4.9029 8.6010 122.2971 54.0949 32.4505 174.6867 32 T 4.8269 8.3401 110.6271 61.2699 70.7574 173.6488 33 F 4.9665 8.7825 116.8918 56.1110 42.0279 172.7875 34 V 4.3767 8.4152 119.7242 61.9508 32.3865 174.1014 35 Y 4.8019 8.7454 130.0354 55.9513 40.4384 176.4599 36 G 3.8724 8.2542 113.5893 46.1646 0.0000 174.9738 37 G 3.7851 6.1124 107.2302 45.2759 0.0000 173.6371 38 S 4.6905 6.7629 111.9561 57.5563 65.9558 173.0509 39 R 3.9085 8.8476 116.5015 56.9780 27.3307 176.8607 40 A 4.2338 8.4096 119.2741 52.5285 18.9289 178.5742 41 K 4.3431 8.3102 121.2486 55.0401 33.8818 177.1807 42 R 3.5891 8.0161 117.7699 58.7216 30.4566 177.4913 43 N 4.7439 7.7729 118.2091 51.2645 37.4462 174.3282 44 N 5.0384 6.3947 116.3996 52.8653 41.6280 173.1113 45 F 5.0773 9.4812 124.8591 55.6153 42.4422 176.5372 46 K 4.4475 8.8639 121.8899 58.2690 32.7154 177.5777 47 S 4.5642 7.7159 112.6231 55.6974 67.0866 174.6473 48 A 3.2645 7.4973 124.0558 54.9000 18.0504 179.9470 49 E 3.7838 7.7938 116.7360 59.6114 29.6166 179.0972 50 D 4.2852 8.0414 118.8872 57.3583 40.8576 178.0226 51 C 2.4500 7.6856 118.6924 59.4607 44.5838 175.6169 52 M 3.8722 8.0411 120.5879 58.2256 31.2430 178.7634 53 R 3.8093 7.7080 118.1483 59.4809 30.3009 178.2237 54 T 4.2241 7.4234 114.3293 65.2072 69.1563 174.9113 55 C 4.5598 8.1679 115.5975 55.6855 41.7475 173.9718 56 G 3.7463 7.5240 109.9786 47.2697 0.0000 174.1774 57 G 3.7920 8.8364 111.7161 45.4420 0.0000 173.1583 58 A 4.0027 7.1262 127.7048 52.2062 18.2203 177.8386 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 4.32 0.00 1.95 2.02 0.00 3.04 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 2 P 0.00 4.05 0.00 2.18 2.05 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 3 D 8.47 4.46 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.47 0.00 3.22 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.11 4.67 0.00 2.99 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 6 L 7.75 4.46 0.00 1.78 1.76 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.82 4.32 0.00 2.07 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 2.43 2.49 0.00 8 P 0.00 4.36 0.00 1.99 1.92 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 P 0.00 3.64 0.00 0.64 0.49 0.00 3.31 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 10 Y 7.95 4.65 0.00 2.81 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 11 T 8.29 4.16 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 1.17 0.00 0.00 12 G 6.73 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 S 7.77 4.29 0.00 3.70 3.71 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 15 K 8.19 4.53 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 2.93 0.00 0.00 0.00 0.00 1.30 1.34 7.81 16 A 7.70 4.29 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 8.16 4.65 0.00 1.73 1.76 0.00 3.34 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 1.44 1.52 0.00 18 I 8.29 4.38 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.36 0.97 0.00 0.00 19 I 8.28 4.41 1.81 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 1.26 0.42 0.73 0.00 0.00 20 R 8.34 4.87 0.00 0.91 1.93 0.00 3.41 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 21 Y 9.44 5.64 0.00 3.19 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 22 F 9.43 5.74 0.00 3.15 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 23 Y 10.17 4.39 0.00 3.05 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 24 N 8.09 4.49 0.00 2.17 2.43 0.00 0.00 6.63 8.68 0.00 0.00 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 8.47 3.80 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 26 K 8.21 3.99 0.00 1.72 1.99 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 7.76 4.19 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 8.59 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 0.00 0.00 0.00 29 L 6.75 4.53 0.00 1.67 1.68 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.75 4.90 0.00 2.92 3.21 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 0.00 31 Q 8.60 4.90 0.00 1.42 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 32 T 8.34 4.83 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 8.78 4.97 0.00 3.08 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 34 V 8.42 4.38 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.75 4.80 0.00 2.54 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 8.25 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 0.00 0.00 0.00 37 G 6.11 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 S 6.76 4.69 0.00 3.95 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 39 R 8.85 3.91 0.00 2.24 2.26 0.00 3.38 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 40 A 8.41 4.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.34 0.00 1.73 1.68 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.14 1.19 7.81 42 R 8.02 3.59 0.00 0.84 0.66 0.00 2.38 0.00 0.00 2.84 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.24 0.00 43 N 7.77 4.74 0.00 3.16 2.86 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 6.39 5.04 0.00 2.67 2.57 0.00 0.00 7.08 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 9.48 5.08 0.00 3.32 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 46 K 8.86 4.45 0.00 1.84 1.94 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.72 4.56 0.00 4.01 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 48 A 7.50 3.26 0.91 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 49 E 7.79 3.78 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 2.38 0.00 50 D 8.04 4.29 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 7.69 2.45 0.00 2.86 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 52 M 8.04 3.87 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 53 R 7.71 3.81 0.00 1.84 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 1.60 1.62 0.00 54 T 7.42 4.22 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 1.61 0.00 0.00 55 C 8.17 4.56 0.00 2.80 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 0.00 0.00 0.00 0.00 56 G 7.52 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.84 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 58 A 7.13 4.00 0.91 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