NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8396 8.4549 115.4353 56.0562 38.5972 173.3593 2 S 3.9921 7.9564 121.0054 55.1707 69.2995 175.0359 3 Q 3.5771 10.6263 124.7664 59.0183 27.6461 172.3455 4 N 4.1328 7.7052 106.6234 55.1530 37.3663 174.0312 5 E 5.4013 7.2398 118.8513 56.6911 32.6121 174.9288 6 Y 4.7126 7.9299 116.4810 57.2891 41.8553 173.7314 7 F 4.9743 9.0181 124.4810 57.1158 40.2832 174.6513 8 D 4.5209 8.2420 128.4416 53.7808 41.2046 177.3675 9 S 3.9721 8.6735 122.8228 60.6606 63.3713 175.5152 10 L 4.0591 8.3773 122.5370 57.0128 41.8833 177.3015 11 L 4.3038 7.8142 115.2140 53.8834 42.7762 175.5099 12 H 3.6412 7.9915 114.9749 56.0937 26.7386 173.1702 13 A 4.8558 6.7558 118.4184 51.3134 23.5252 176.2232 14 C 5.1973 8.6851 115.9142 55.7250 36.0578 174.0540 15 I 4.5682 8.0113 124.5030 58.3153 40.7673 173.4483 16 P 4.4170 0.0000 0.0000 63.1314 31.7570 177.8289 17 C 3.9896 8.6745 122.1325 60.5042 34.7464 176.2823 18 Q 4.1363 8.2403 117.6623 59.5042 28.0177 179.4085 19 L 3.9786 7.7308 118.6590 58.3011 41.8836 179.9519 20 R 4.0424 7.9360 115.8907 59.4815 30.2629 178.9420 21 C 4.2462 8.0289 115.0476 59.7215 41.5291 175.8431 22 S 4.2914 7.6270 116.2067 59.0648 60.3410 173.5486 23 S 3.5851 8.0085 121.5863 57.3400 59.3510 172.9905 24 N 4.2755 8.1892 112.0609 53.7905 38.4643 177.3142 25 T 3.5379 7.5287 122.0790 63.8426 64.4349 170.9429 26 P 4.1219 0.0000 0.0000 61.9984 32.5920 175.1057 27 P 4.3962 0.0000 0.0000 61.6625 32.2476 175.4861 28 L 4.4246 8.2659 119.0965 57.2907 40.4852 176.9431 29 T 3.5548 8.6399 110.4623 62.8584 65.9601 173.0095 30 C 4.9924 8.3262 116.8907 56.4863 42.4195 175.9930 31 Q 3.9114 8.2418 120.5158 59.4212 28.3777 179.0232 32 R 3.8551 8.0067 118.5975 59.7239 30.0609 177.2734 33 Y 4.2194 8.1940 117.3716 61.4672 38.8575 178.7186 34 C 4.3485 8.4125 117.0327 59.9961 37.4684 175.8231 35 N 4.2774 8.0355 117.7695 55.3516 37.8209 176.1742 36 A 4.4869 7.8660 120.7763 51.9669 19.1645 177.4527 37 S 4.3148 8.0451 113.2418 58.4568 64.3591 174.4073 38 V 4.0828 7.0762 117.7104 64.3780 33.3887 175.2206 39 T 4.0825 7.5928 120.5407 63.5147 67.7869 173.5884 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 4.84 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 2 S 7.96 3.99 0.00 3.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 10.63 3.58 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 4 N 7.71 4.13 0.00 2.80 2.13 0.00 0.00 6.83 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 7.24 5.40 0.00 1.93 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 2.18 2.48 0.00 6 Y 7.93 4.71 0.00 3.07 2.94 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 0.00 0.00 0.00 7 F 9.02 4.97 0.00 2.98 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 8 D 8.24 4.52 0.00 2.21 2.16 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 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 8.38 4.06 0.00 1.53 1.84 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.81 4.30 0.00 1.49 1.57 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.99 3.64 0.00 3.23 3.43 0.00 5.66 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 6.76 4.86 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 8.69 5.20 0.00 2.86 3.15 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 15 I 8.01 4.57 0.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.12 0.95 0.00 0.00 16 P 0.00 4.42 0.00 2.20 2.01 0.00 3.63 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 2.12 2.10 0.00 17 C 8.67 3.99 0.00 2.20 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 18 Q 8.24 4.14 0.00 2.19 2.31 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 2.94 2.72 0.00 19 L 7.73 3.98 0.00 1.74 1.84 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.94 4.04 0.00 1.77 1.83 0.00 3.37 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.00 21 C 8.03 4.25 0.00 3.21 3.24 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 0.00 22 S 7.63 4.29 0.00 4.10 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.01 3.59 0.00 4.03 3.94 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 0.00 0.00 0.00 24 N 8.19 4.28 0.00 2.77 2.81 0.00 0.00 6.47 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 7.53 3.54 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 4.12 0.00 2.02 1.97 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.33 0.00 27 P 0.00 4.40 0.00 1.99 1.89 0.00 3.35 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 1.58 1.87 0.00 28 L 8.27 4.42 0.00 1.80 1.86 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.64 3.55 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 1.27 0.00 0.00 30 C 8.33 4.99 0.00 3.26 3.01 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 31 Q 8.24 3.91 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 32 R 8.01 3.86 0.00 1.95 1.96 0.00 3.31 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 33 Y 8.19 4.22 0.00 2.96 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.35 0.00 3.16 3.12 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 0.00 0.00 0.00 0.00 35 N 8.04 4.28 0.00 2.85 2.85 0.00 0.00 6.83 7.95 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 36 A 7.87 4.49 1.21 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 0.00 0.00 37 S 8.05 4.31 0.00 3.71 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 38 V 7.08 4.08 2.04 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 0.83 0.00 0.00 0.90 0.00 0.00 39 T 7.59 4.08 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 1.19 0.00 0.00