NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.3615 8.2993 120.1348 56.2532 34.2242 176.0812 -6 S 4.5465 7.7790 109.6295 56.4920 67.1568 174.9708 -5 S 4.0856 8.4689 117.8305 62.1537 63.7770 176.9244 -4 H 4.2929 8.2140 121.2201 58.4578 29.6144 176.6721 -3 T 3.9482 7.7771 117.7649 65.8092 68.5906 176.0662 -2 L 3.9700 8.2993 122.4003 58.3321 42.1852 179.1668 -1 K 3.8396 8.1837 119.1551 59.9589 32.1892 178.5540 0 T 3.8031 7.7870 115.4890 66.7207 68.3851 176.2874 1 A 4.0367 8.4652 122.7599 55.2889 18.4064 179.3311 2 N 4.2840 8.6345 115.2603 56.7967 38.7875 177.7121 3 S 4.1629 8.1022 116.3970 61.8840 62.7822 176.0858 4 Y 3.8930 8.2139 122.1755 61.0460 38.6879 178.0931 5 T 3.8360 8.4044 116.5916 66.7883 68.5932 176.0111 6 D 4.2881 7.9832 120.8717 57.2322 41.0400 179.0958 7 V 3.6038 7.3200 120.3792 64.5937 31.3130 178.4078 8 T 3.6309 7.6252 116.7940 66.0409 68.2812 176.8929 9 V 3.5251 7.7371 120.2451 65.9564 31.3299 178.0220 10 S 4.1131 7.9653 114.0823 61.8493 62.6591 176.3345 11 N 4.4469 8.2891 119.6948 55.5972 38.1280 177.4972 12 S 4.0576 7.9172 115.0417 61.4532 62.4869 176.0712 13 T 3.8242 7.9107 118.3983 66.8262 68.2404 176.5418 14 K 3.9110 7.8340 119.6421 59.3543 31.9468 179.3566 15 K 3.8802 8.0408 119.4485 59.4296 32.1021 178.6138 16 A 3.9608 8.1545 121.2421 55.3917 18.2159 179.7663 17 I 3.6629 7.7698 118.1588 64.4254 37.1139 178.8251 18 R 3.9008 8.1158 118.9812 59.3404 30.0258 178.9579 19 E 3.9781 8.3919 118.4236 59.6046 29.4442 179.7015 20 S 4.1400 8.3564 115.4194 61.6598 62.8413 176.4714 21 N 4.2604 8.3496 119.3179 56.1775 38.1769 177.0570 22 Q 3.8458 8.3971 121.2977 59.4966 29.0982 177.6419 23 Y 4.2161 7.9131 120.1201 61.3008 38.6382 178.4954 24 T 3.5500 8.1384 116.3590 66.6441 68.5324 176.2391 25 D 4.3255 8.2779 121.1371 57.7035 40.5866 178.7252 26 H 4.2024 7.8679 115.5704 58.8931 28.9072 177.7796 27 K 4.0814 8.0475 120.5114 59.5332 31.9573 179.4033 28 F 4.5125 8.6803 117.7288 59.9253 38.8082 177.2358 29 H 4.5586 8.3635 120.0612 58.8667 29.5835 177.2118 30 Q 4.0576 8.0018 119.8329 58.7600 28.4389 178.6848 31 L 3.8914 7.8045 119.4982 57.7718 41.6485 179.0129 32 E 3.9311 8.1749 118.4101 59.7726 29.4654 179.3260 33 N 4.4932 8.6167 116.6709 56.2411 38.5421 177.4960 34 R 3.8513 8.0153 120.2042 59.3342 30.2026 178.3473 35 L 3.9474 8.2223 120.4854 58.2320 42.1709 178.5957 36 D 4.3717 8.5241 119.2891 57.3760 40.7592 179.0076 37 K 4.0143 8.0892 118.9634 59.4017 32.0729 179.4946 38 L 4.0154 7.9738 119.3305 57.8616 41.5329 179.4480 39 E 4.0217 8.2584 118.6100 59.2358 29.5216 179.5095 40 K 4.1357 8.0391 118.3566 59.3658 32.0858 179.6572 41 R 3.9666 8.0207 118.6702 58.8331 29.9398 178.8182 42 L 3.9074 7.7901 120.0907 58.1524 41.9727 178.8106 43 L 3.9639 8.0249 117.8546 58.0006 41.6849 179.4328 44 K 4.0789 7.6778 116.4308 59.3983 32.0101 178.8507 45 L 4.1005 7.5797 119.3427 57.9151 42.1141 177.2278 46 L 4.2951 7.7598 122.4413 54.9964 41.7280 176.6896 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 -7 K 8.30 4.36 0.00 1.77 1.94 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 -6 S 7.78 4.55 0.00 4.04 4.03 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 -5 S 8.47 4.09 0.00 4.08 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 0.00 -4 H 8.21 4.29 0.00 3.25 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.78 3.95 4.40 0.00 0.00 0.00 0.00 0.00 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 -2 L 8.30 3.97 0.00 1.73 1.86 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.18 3.84 0.00 2.11 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 0 T 7.79 3.80 4.27 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 1.19 0.00 0.00 1 A 8.47 4.04 1.34 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 0.00 0.00 2 N 8.63 4.28 0.00 3.04 2.90 0.00 0.00 7.05 7.27 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 3 S 8.10 4.16 0.00 4.12 3.95 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 4 Y 8.21 3.89 0.00 3.17 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 5 T 8.40 3.84 4.43 0.00 0.00 0.00 0.00 0.00 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 6 D 7.98 4.29 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 3.60 1.99 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 0.81 0.00 0.00 0.85 0.00 0.00 8 T 7.63 3.63 4.02 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 1.12 0.00 0.00 9 V 7.74 3.53 2.27 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 1.03 0.00 0.00 0.94 0.00 0.00 10 S 7.97 4.11 0.00 4.07 4.16 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 11 N 8.29 4.45 0.00 2.93 2.86 0.00 0.00 6.65 6.83 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 12 S 7.92 4.06 0.00 3.88 4.01 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 13 T 7.91 3.82 4.35 0.00 0.00 0.00 0.00 0.00 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 K 7.83 3.91 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.70 7.81 15 K 8.04 3.88 0.00 1.95 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 16 A 8.15 3.96 1.34 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 0.00 0.00 17 I 7.77 3.66 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.89 0.00 0.00 18 R 8.12 3.90 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 19 E 8.39 3.98 0.00 2.24 1.98 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 2.34 2.49 0.00 20 S 8.36 4.14 0.00 3.83 3.89 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 0.00 0.00 0.00 21 N 8.35 4.26 0.00 2.91 2.83 0.00 0.00 6.67 7.44 0.00 0.00 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 Q 8.40 3.85 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 23 Y 7.91 4.22 0.00 3.13 3.11 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 0.00 0.00 0.00 0.00 24 T 8.14 3.55 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 25 D 8.28 4.33 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 26 H 7.87 4.20 0.00 3.09 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.05 4.08 0.00 1.67 1.95 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.72 1.14 7.81 28 F 8.68 4.51 0.00 3.04 3.05 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 29 H 8.36 4.56 0.00 3.46 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.00 4.06 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 31 L 7.80 3.89 0.00 1.69 1.56 0.33 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.17 3.93 0.00 2.01 1.99 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 2.32 2.44 0.00 33 N 8.62 4.49 0.00 2.73 2.89 0.00 0.00 6.73 7.38 0.00 0.00 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 R 8.02 3.85 0.00 2.09 1.90 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 35 L 8.22 3.95 0.00 1.85 1.77 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.52 4.37 0.00 2.85 2.70 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 37 K 8.09 4.01 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 38 L 7.97 4.02 0.00 1.86 1.70 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.26 4.02 0.00 2.02 1.98 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 2.29 2.55 0.00 40 K 8.04 4.14 0.00 2.10 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 41 R 8.02 3.97 0.00 2.00 1.97 0.00 3.17 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 42 L 7.79 3.91 0.00 1.88 1.86 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.02 3.96 0.00 1.61 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.68 4.08 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 45 L 7.58 4.10 0.00 1.73 1.89 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.76 4.30 0.00 1.83 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00