NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3065 8.1631 117.3743 63.1638 69.5641 173.5979 2 G 3.5570 8.5021 115.9234 44.8963 0.0000 171.5360 3 A 4.4380 8.0295 122.1020 52.1630 21.4457 176.6638 4 G 4.3745 7.3159 109.5017 44.7810 0.0000 175.8485 5 T 3.8897 9.1103 121.8335 66.1754 67.8250 173.4544 6 P 4.3170 0.0000 0.0000 65.6849 31.4128 177.6367 7 S 4.4642 8.0568 112.7744 59.2187 63.0104 175.7042 8 Q 4.3362 8.1203 122.2046 57.9262 28.5296 178.1828 9 G 3.6982 8.0542 107.8594 48.1294 0.0000 174.5975 10 K 4.0377 7.9036 117.5113 57.8400 32.3695 177.2288 11 K 4.2765 7.7315 119.1348 56.0831 30.8599 176.5510 12 N 4.9448 8.2806 118.1464 53.4606 38.7930 175.0007 13 T 4.2332 7.7930 115.0342 63.8515 69.3986 173.8598 14 T 4.5651 8.2932 119.9946 62.2071 70.1721 172.4570 15 T 4.3303 8.0067 114.3238 62.9598 71.1066 172.7951 16 H 5.2703 7.8666 119.8889 54.2677 30.0081 174.1606 17 T 4.8369 9.5687 113.6083 59.0442 72.8885 172.9541 18 K 4.1970 8.7976 122.7865 57.5979 32.8621 175.0973 19 C 4.2634 8.6793 127.6015 57.9628 32.1952 174.0432 20 R 3.5971 8.4118 127.2118 59.4394 29.8641 177.2320 21 R 3.7656 7.2160 116.5401 58.2353 30.2873 176.4656 22 C 4.4377 8.0262 109.4567 57.5549 31.2121 174.6891 23 G 3.9286 8.2948 108.3324 44.7165 0.0000 173.0443 24 E 4.2739 7.7703 119.8385 54.6874 30.9353 177.1675 25 K 4.6567 8.2989 126.4479 56.7477 29.3103 176.5186 26 S 4.7519 7.8605 113.9278 58.2061 65.8136 174.4543 27 Y 4.5087 8.7031 123.9209 56.8360 39.3206 174.3849 28 H 4.3200 8.5453 128.4602 55.9511 29.3781 175.4759 29 T 3.5002 9.5275 122.4290 64.0665 66.9978 174.5731 30 K 4.3106 8.2237 118.6300 57.8229 33.1815 177.4116 31 K 4.1127 7.6517 115.9718 55.6657 32.8897 176.4216 32 K 3.2116 8.5589 118.2316 55.9850 30.2935 174.8675 33 V 4.5218 6.9807 116.1893 61.0978 34.6307 173.2499 34 C 5.0715 9.5405 128.3944 58.0414 31.9809 174.2937 35 S 4.3682 8.7395 122.2768 60.0482 62.1660 174.5477 36 S 4.4421 7.3906 115.6482 59.4819 63.1280 173.8318 37 C 4.2741 7.9570 114.9300 58.4865 30.7433 175.4214 38 G 4.5048 8.3896 109.0514 46.2993 0.0000 172.8211 39 F 4.3759 8.1209 121.8953 59.8408 39.7271 175.2322 40 G 3.4811 8.1445 114.5617 46.2683 0.0000 174.1929 41 K 4.2508 8.0906 119.8431 57.6455 32.9384 176.6366 42 S 4.6455 7.5456 109.7828 56.2217 65.9719 173.5951 43 A 4.1084 8.7104 125.4830 55.3064 18.3404 178.7284 44 K 4.2815 7.6962 113.0599 56.1464 32.9447 176.5141 45 R 4.4731 8.1088 119.7065 55.3576 31.1939 176.5225 46 R 3.7306 9.1755 125.5922 56.8232 30.6405 175.9021 47 D 4.3749 7.8619 127.0300 53.9620 43.2519 173.8609 48 Y 4.3964 8.2640 124.1579 55.9212 39.9862 177.1517 49 E 4.1119 8.3660 120.5709 58.4504 29.9028 178.3999 50 W 4.8314 7.4337 114.7006 56.7794 28.1669 176.7148 51 Q 4.4733 7.3769 115.5278 56.6594 28.4838 175.4324 52 S 4.7831 7.4920 110.5527 55.8888 66.6167 173.9484 53 K 4.0591 8.7838 120.3597 56.6363 31.7533 177.9094 54 A 3.6386 7.8335 123.8004 55.6911 19.6717 178.2695 55 G 3.9619 7.6307 106.0898 44.2406 0.0000 173.1315 56 E 4.3164 8.0509 124.5078 56.5967 30.1356 174.4811 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 T 8.16 4.31 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 2 G 8.50 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.44 1.28 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 0.00 0.00 0.00 4 G 7.32 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.11 3.89 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 P 0.00 4.32 0.00 2.22 2.19 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 2.10 2.06 0.00 7 S 8.06 4.46 0.00 4.19 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 8 Q 8.12 4.34 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 9 G 8.05 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.04 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 11 K 7.73 4.28 0.00 1.88 1.80 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.37 7.81 12 N 8.28 4.94 0.00 2.77 2.82 0.00 0.00 6.33 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 13 T 7.79 4.23 4.24 0.00 0.00 0.00 0.00 0.00 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 14 T 8.29 4.57 4.24 0.00 0.00 0.00 0.00 0.00 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 15 T 8.01 4.33 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 16 H 7.87 5.27 0.00 3.08 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.57 4.84 4.33 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 1.27 0.00 0.00 18 K 8.80 4.20 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.55 7.81 19 C 8.68 4.26 0.00 3.21 2.87 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 20 R 8.41 3.60 0.00 1.45 1.38 0.00 3.10 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 21 R 7.22 3.77 0.00 0.67 1.46 0.00 3.35 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 22 C 8.03 4.44 0.00 3.08 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 23 G 8.29 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 24 E 7.77 4.27 0.00 1.94 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 2.38 2.26 0.00 25 K 8.30 4.66 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.53 7.81 26 S 7.86 4.75 0.00 3.86 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 27 Y 8.70 4.51 0.00 3.12 3.13 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 0.00 28 H 8.55 4.32 0.00 3.15 2.99 0.00 5.68 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.53 3.50 4.32 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 0.00 0.00 0.00 1.27 0.00 0.00 30 K 8.22 4.31 0.00 1.81 1.82 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 31 K 7.65 4.11 0.00 1.52 1.71 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.13 0.74 7.81 32 K 8.56 3.21 0.00 1.76 1.97 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.49 7.81 33 V 6.98 4.52 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 34 C 9.54 5.07 0.00 3.45 3.17 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 35 S 8.74 4.37 0.00 4.11 4.07 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 36 S 7.39 4.44 0.00 3.91 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 37 C 7.96 4.27 0.00 3.18 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 38 G 8.39 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.12 4.38 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 40 G 8.14 3.48 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 0.00 41 K 8.09 4.25 0.00 1.71 1.97 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.37 7.81 42 S 7.55 4.65 0.00 3.94 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 43 A 8.71 4.11 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 44 K 7.70 4.28 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 R 8.11 4.47 0.00 1.65 1.82 0.00 3.39 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 46 R 9.18 3.73 0.00 1.83 2.03 0.00 3.45 0.00 0.00 3.49 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 47 D 7.86 4.37 0.00 2.53 2.30 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 0.00 48 Y 8.26 4.40 0.00 1.43 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.37 4.11 0.00 2.04 2.03 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 2.37 2.25 0.00 50 W 7.43 4.83 0.00 3.49 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 51 Q 7.38 4.47 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 52 S 7.49 4.78 0.00 3.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.78 4.06 0.00 2.00 1.80 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.40 7.81 54 A 7.83 3.64 1.27 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 0.00 0.00 0.00 55 G 7.63 3.96 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 0.00 56 E 8.05 4.32 0.00 1.93 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 2.19 2.21 0.00