NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8507 8.4549 115.4374 56.0801 38.5827 173.2934 2 S 4.0121 7.9930 121.0702 55.1927 69.3903 175.0546 3 Q 3.6365 10.6715 124.7806 59.0062 27.6439 172.3490 4 N 4.3418 7.8302 106.5442 55.3006 37.4319 174.0008 5 E 5.4645 7.3720 118.8946 56.6536 32.6482 174.9478 6 Y 4.7417 7.9853 116.6895 57.2744 41.8652 173.7832 7 F 4.9608 9.0132 124.4531 57.1318 40.2655 174.6570 8 D 4.5233 8.2375 128.4426 53.7674 41.1988 177.3681 9 S 3.9702 8.6711 122.8424 60.6679 63.3665 175.5266 10 L 4.0593 8.4173 122.5671 57.0266 41.8835 177.3120 11 L 4.2920 7.8113 115.2457 53.9007 42.8090 175.5032 12 H 3.6486 8.0072 115.0390 56.0489 26.6968 173.0777 13 A 4.8428 6.7239 118.4842 51.3688 23.5202 176.3019 14 C 5.1892 8.6796 115.9852 55.7367 36.2031 174.0431 15 I 4.5565 7.9947 124.5254 58.3062 40.7629 173.4728 16 P 4.3968 0.0000 0.0000 63.1116 31.7634 177.7675 17 C 3.9999 8.7345 122.1605 60.5510 34.8027 176.1641 18 Q 3.8288 7.7091 118.3826 59.3355 28.0796 179.4250 19 L 3.9348 7.6086 118.6089 58.2812 41.8714 179.9551 20 R 4.0109 7.8654 115.8867 59.4379 30.2522 178.9436 21 C 4.3265 7.9106 115.3433 59.0750 36.9707 174.7025 22 S 4.1480 7.9318 116.2147 58.7979 62.3205 174.9886 23 S 3.8103 8.6839 117.4756 58.9246 62.1290 171.0792 24 N 4.7947 8.1780 117.7684 51.8811 39.9989 172.9283 25 T 3.9276 8.5073 123.3606 62.6402 68.1042 171.3585 26 P 4.2447 0.0000 0.0000 61.9032 32.3077 176.4209 27 P 4.6148 0.0000 0.0000 61.9603 33.6880 176.5371 28 L 4.2400 8.5903 125.9119 58.6543 40.2748 178.8060 29 T 3.8179 8.2360 107.8970 62.9387 65.9019 173.9795 30 C 5.0024 8.2717 118.9695 56.3899 45.4418 176.8421 31 Q 3.9286 8.3860 119.4122 58.9889 28.1817 178.0933 32 R 3.4359 8.0490 117.7915 59.6094 30.0456 175.5961 33 Y 4.3136 7.8226 117.1674 58.8347 39.9244 177.5128 34 C 4.1092 9.2682 117.1841 60.4988 41.3934 176.4823 35 N 4.2497 9.2764 118.4911 56.3799 37.9873 177.1650 36 A 3.9617 7.9420 120.9093 55.0377 18.3511 179.2867 37 S 4.0893 7.6258 112.9296 59.4421 63.2296 175.2455 38 V 3.9216 8.1854 122.5251 62.5016 29.4134 175.9030 39 T 3.8024 9.1447 114.2833 64.0231 68.5448 171.4527 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 C 8.45 4.85 0.00 3.10 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 2 S 7.99 4.01 0.00 3.96 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 3 Q 10.67 3.64 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 4 N 7.83 4.34 0.00 3.13 3.05 0.00 0.00 6.82 7.66 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 5 E 7.37 5.46 0.00 1.95 1.96 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 2.21 2.53 0.00 6 Y 7.99 4.74 0.00 3.08 2.96 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 7 F 9.01 4.96 0.00 2.98 3.10 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 0.00 8 D 8.24 4.52 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.67 3.97 0.00 3.89 3.92 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 10 L 8.42 4.06 0.00 1.52 1.83 0.89 0.83 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 11 L 7.81 4.29 0.00 1.49 1.57 0.84 1.01 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 12 H 8.01 3.65 0.00 3.23 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.72 4.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.68 5.19 0.00 2.87 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 15 I 7.99 4.56 0.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.24 0.93 0.00 0.00 16 P 0.00 4.40 0.00 2.14 1.94 0.00 3.61 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 2.09 2.08 0.00 17 C 8.73 4.00 0.00 2.47 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 18 Q 7.71 3.83 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.58 2.16 0.00 19 L 7.61 3.93 0.00 1.71 1.82 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.87 4.01 0.00 1.71 1.80 0.00 3.35 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.00 21 C 7.91 4.33 0.00 3.19 3.25 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 0.00 0.00 0.00 0.00 22 S 7.93 4.15 0.00 4.05 4.05 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 23 S 8.68 3.81 0.00 3.98 3.97 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 24 N 8.18 4.79 0.00 2.63 2.75 0.00 0.00 7.14 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 25 T 8.51 3.93 4.21 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 1.19 0.00 0.00 26 P 0.00 4.24 0.00 2.00 1.92 0.00 3.65 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 2.01 2.24 0.00 27 P 0.00 4.61 0.00 1.89 1.94 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 28 L 8.59 4.24 0.00 1.80 1.68 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.24 3.82 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 1.29 0.00 0.00 30 C 8.27 5.00 0.00 3.09 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 31 Q 8.39 3.93 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 32 R 8.05 3.44 0.00 1.83 2.07 0.00 3.27 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 33 Y 7.82 4.31 0.00 3.13 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 34 C 9.27 4.11 0.00 2.99 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 35 N 9.28 4.25 0.00 2.68 2.87 0.00 0.00 6.93 7.08 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 36 A 7.94 3.96 1.20 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 0.00 0.00 37 S 7.63 4.09 0.00 3.92 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 38 V 8.19 3.92 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 0.75 0.00 0.00 1.04 0.00 0.00 39 T 9.14 3.80 4.19 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 1.18 0.00 0.00