NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0098 7.9133 120.3912 62.6527 32.6004 174.5047 6 R 4.1825 8.0393 121.9386 56.0187 31.1833 176.4482 7 I 3.4400 8.6171 118.3757 61.5081 35.9162 174.7728 8 K 4.1034 7.2739 119.9829 56.5858 34.4179 177.8549 9 L 3.3285 7.4664 115.3776 54.2737 41.4923 175.0930 10 L 4.4661 8.1556 124.1440 55.9787 41.6082 175.3224 11 L 5.1219 7.7913 118.9847 56.2706 44.2318 173.1654 12 E 5.0091 8.5245 118.3613 54.8136 32.7729 175.6429 13 C 5.7118 8.7330 119.7352 57.8740 31.4497 172.5825 14 T 5.5103 8.1871 115.3271 58.8747 69.9345 172.7365 15 E 3.8968 8.6802 129.7921 56.3881 30.5499 177.4991 16 C 4.3201 8.3067 122.1412 60.9137 28.9986 173.1740 17 K 3.5256 8.3068 117.0071 61.2308 29.0197 175.1316 18 R 2.7921 8.7577 114.9278 56.9168 31.8314 175.9140 19 R 3.0772 7.9932 120.3944 55.4808 30.0238 177.5607 20 N 3.7231 6.7353 110.6403 52.6991 37.9454 173.5949 21 Y 5.8966 8.5416 119.6780 56.2645 41.2288 173.4440 22 A 4.7283 8.9665 120.0626 53.3022 26.1749 173.2774 23 T 3.7147 8.2305 112.9020 61.2452 71.0758 170.2112 24 E 4.5663 8.2181 126.9026 55.0886 30.4010 175.5970 25 K 4.6758 8.4050 126.4823 56.5539 35.9165 175.8530 26 N 5.0379 8.5148 120.5441 52.6121 38.5719 176.1094 27 K 5.6105 9.1332 133.6065 61.6831 35.6992 180.1723 28 R 2.9767 8.1043 112.3031 55.8077 31.4114 177.1198 29 N 4.3767 9.2420 123.2071 56.6736 38.3587 176.6133 30 T 3.9793 8.2173 113.0733 61.0833 67.9054 169.8648 31 P 3.9990 0.0000 0.0000 62.0674 30.0871 174.0805 32 N 4.6394 8.5838 116.3139 52.3855 44.3507 173.4297 33 K 4.1540 9.1813 124.9684 56.5153 31.0035 177.9667 34 L 4.8888 8.7743 110.4034 52.4185 44.6262 176.4287 35 E 4.1237 8.3035 120.4550 56.2850 31.2224 175.5856 36 L 5.1732 8.3872 122.1922 55.0541 44.8674 173.3808 37 R 4.6569 8.5653 122.5286 54.5177 32.6111 174.8238 38 K 4.0428 8.7595 123.7928 56.9171 32.5627 174.6842 39 Y 4.6167 8.5936 125.7573 56.6165 42.5700 172.2968 40 C 5.2258 8.3842 124.7565 56.7784 32.7715 170.8300 41 P 5.0724 0.0000 0.0000 61.1725 32.9058 174.8521 42 W 4.8717 8.4913 132.4344 60.6893 31.5811 175.2659 43 C 3.9856 8.0013 124.5000 62.4512 27.6545 174.2362 44 R 4.2663 8.3484 124.7758 55.4622 26.9145 174.8253 45 K 4.6763 8.2863 123.3418 57.6327 33.0768 174.5930 46 H 5.0074 8.6851 122.1267 56.3877 31.1291 172.2837 47 T 4.6777 9.5990 117.0179 62.3993 66.7093 174.7990 48 V 4.2116 8.5810 110.6372 62.9706 35.2083 172.4639 49 H 4.9699 8.5258 121.2508 54.4956 28.4419 173.6467 50 R 5.2925 7.8164 116.0804 53.7106 33.4740 173.5374 51 E 4.7234 8.8158 120.8699 55.2415 30.7398 175.6913 52 V 4.4419 9.0657 124.7730 60.6822 33.0395 173.3218 53 K 3.6985 8.6960 123.7577 57.3277 32.7623 174.5356 54 I 3.9121 8.2577 109.3386 60.8611 37.6089 175.5661 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 5 V 7.91 4.01 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 0.96 0.00 0.00 0.93 0.00 0.00 6 R 8.04 4.18 0.00 2.03 1.82 0.00 3.29 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 7 I 8.62 3.44 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.09 0.91 0.00 0.00 8 K 7.27 4.10 0.00 1.64 1.98 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 L 7.47 3.33 0.00 1.95 2.07 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.16 4.47 0.00 1.75 1.69 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.79 5.12 0.00 1.62 1.77 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.52 5.01 0.00 1.87 1.86 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 2.11 2.20 0.00 13 C 8.73 5.71 0.00 2.80 2.83 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 0.00 0.00 0.00 14 T 8.19 5.51 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 1.20 0.00 0.00 15 E 8.68 3.90 0.00 1.84 1.76 0.00 0.00 0.00 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 16 C 8.31 4.32 0.00 2.98 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 17 K 8.31 3.53 0.00 2.07 1.86 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.45 7.81 18 R 8.76 2.79 0.00 1.78 2.11 0.00 3.40 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 19 R 7.99 3.08 0.00 1.85 1.68 0.00 3.26 0.00 0.00 3.19 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 20 N 6.74 3.72 0.00 2.74 2.96 0.00 0.00 6.65 7.48 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 21 Y 8.54 5.90 0.00 2.87 2.83 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 0.00 0.00 0.00 22 A 8.97 4.73 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 3.71 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 24 E 8.22 4.57 0.00 1.93 1.46 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 2.04 2.17 0.00 25 K 8.41 4.68 0.00 1.64 1.60 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.44 7.81 26 N 8.51 5.04 0.00 2.73 2.32 0.00 0.00 6.78 6.93 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 27 K 9.13 5.61 0.00 1.80 1.76 0.00 1.77 0.00 0.00 2.09 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.10 7.81 28 R 8.10 2.98 0.00 1.91 2.06 0.00 3.28 0.00 0.00 3.27 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 29 N 9.24 4.38 0.00 2.80 2.97 0.00 0.00 5.89 7.71 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 30 T 8.22 3.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 31 P 0.00 4.00 0.00 2.09 2.01 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 32 N 8.58 4.64 0.00 3.01 2.69 0.00 0.00 6.76 8.11 0.00 0.00 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 K 9.18 4.15 0.00 1.70 1.32 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.44 7.81 34 L 8.77 4.89 0.00 1.53 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.30 4.12 0.00 2.16 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 2.27 2.28 0.00 36 L 8.39 5.17 0.00 1.65 1.53 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.57 4.66 0.00 1.89 1.87 0.00 3.16 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 38 K 8.76 4.04 0.00 1.82 1.83 0.00 1.63 0.00 0.00 2.29 0.00 0.00 2.68 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.68 7.81 39 Y 8.59 4.62 0.00 3.15 2.39 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 40 C 8.38 5.23 0.00 2.46 2.61 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 0.00 0.00 0.00 0.00 41 P 0.00 5.07 0.00 2.44 2.17 0.00 4.27 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 42 W 8.49 4.87 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 43 C 8.00 3.99 0.00 3.25 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 44 R 8.35 4.27 0.00 1.88 2.05 0.00 3.15 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 45 K 8.29 4.68 0.00 1.78 1.56 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.39 7.81 46 H 8.69 5.01 0.00 3.17 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.60 4.68 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 1.37 0.00 0.00 48 V 8.58 4.21 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 0.85 0.00 0.00 0.94 0.00 0.00 49 H 8.53 4.97 0.00 3.57 3.29 0.00 6.05 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.82 5.29 0.00 1.82 1.99 0.00 3.11 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 51 E 8.82 4.72 0.00 2.08 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 2.30 2.31 0.00 52 V 9.07 4.44 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 0.88 0.00 0.00 0.97 0.00 0.00 53 K 8.70 3.70 0.00 1.91 1.46 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.48 7.81 54 I 8.26 3.91 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.89 0.00 0.00