NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4173 8.1627 120.3489 55.4213 34.5222 177.2059 3 K 4.1573 7.9212 120.6959 58.5395 32.0403 177.2488 4 Q 3.9764 8.7811 119.2604 59.0127 29.1500 177.8688 5 I 3.6884 7.7858 120.3309 64.5851 36.9975 178.1573 6 E 3.9491 8.3902 119.3478 59.4364 29.2544 179.1942 7 D 4.8080 7.9771 120.3404 56.8329 40.8285 178.9460 8 K 4.0799 8.3875 119.3492 59.2717 32.0240 179.4579 9 G 3.7098 8.7734 106.4320 48.0767 0.0000 175.5226 10 E 4.0346 8.3019 121.0949 59.0941 29.4659 179.4192 11 E 3.9970 8.2172 118.6483 59.3222 29.4605 179.3956 12 I 3.6910 8.0848 120.2022 64.5162 37.1446 178.5374 13 L 3.8361 8.0465 119.7613 57.5724 41.3904 179.4067 14 S 4.2398 8.2347 113.1835 61.6414 62.2629 176.5927 15 K 4.0878 8.1588 120.9859 59.2440 31.6690 179.4436 16 L 3.9233 8.0759 119.5874 58.0413 41.4770 179.0261 17 Y 4.2253 8.0985 116.9785 61.3134 37.6963 178.2088 18 H 4.1874 8.3197 118.9594 59.4799 29.9950 177.2158 19 I 3.7821 7.9675 121.5331 64.5028 36.9634 178.0969 20 E 3.9762 8.4715 119.6113 59.7733 29.3151 179.3940 21 N 4.4087 8.4807 116.4555 56.2845 38.6026 177.3743 22 E 3.9389 8.4380 120.3914 59.4450 29.4369 179.4545 23 L 4.0485 8.1808 118.8151 57.4859 41.6566 179.3810 24 A 3.9926 7.9839 121.0785 54.9207 18.2102 179.6999 25 R 3.8274 8.1824 117.3589 59.5689 30.1665 178.7643 26 I 3.6656 7.7560 119.6126 64.3121 37.0428 178.2300 27 K 3.9036 8.3388 120.7409 59.3278 31.9815 178.6642 28 K 3.9086 8.0763 119.7596 59.5480 31.9528 178.8007 29 L 3.9960 7.9052 118.0313 57.8028 41.6240 179.2115 30 L 4.2367 8.1915 118.3276 57.8268 41.6646 179.6450 31 G 3.7315 8.2034 104.6886 47.4182 0.0000 173.8314 32 E 4.3104 8.0894 124.5631 56.5744 29.7345 176.3954 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 2 M 8.16 4.42 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 3 K 7.92 4.16 0.00 1.99 1.79 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.51 7.81 4 Q 8.78 3.98 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.79 3.69 2.01 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 1.64 0.82 0.91 0.00 0.00 6 E 8.39 3.95 0.00 2.25 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 0.00 2.33 2.46 0.00 7 D 7.98 4.81 0.00 2.89 2.71 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 0.00 0.00 0.00 0.00 8 K 8.39 4.08 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.60 7.81 9 G 8.77 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.30 4.03 0.00 2.25 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 2.35 2.46 0.00 11 E 8.22 4.00 0.00 2.23 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 0.00 2.33 2.61 0.00 12 I 8.08 3.69 2.00 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 0.78 0.88 0.00 0.00 13 L 8.05 3.84 0.00 1.73 1.70 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.23 4.24 0.00 4.01 4.13 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 15 K 8.16 4.09 0.00 1.97 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.63 7.81 16 L 8.08 3.92 0.00 1.64 1.52 0.82 1.08 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 17 Y 8.10 4.23 0.00 3.03 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 18 H 8.32 4.19 0.00 3.39 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.97 3.78 1.98 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 1.52 0.62 0.90 0.00 0.00 20 E 8.47 3.98 0.00 2.23 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 0.00 2.33 2.56 0.00 21 N 8.48 4.41 0.00 2.88 2.88 0.00 0.00 7.08 8.16 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 22 E 8.44 3.94 0.00 2.09 1.95 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 2.22 2.22 0.00 23 L 8.18 4.05 0.00 1.84 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.98 3.99 1.40 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 0.00 0.00 0.00 25 R 8.18 3.83 0.00 1.89 2.10 0.00 3.11 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 1.62 1.67 0.00 26 I 7.76 3.67 2.00 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 1.40 0.57 0.91 0.00 0.00 27 K 8.34 3.90 0.00 1.80 2.04 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 8.08 3.91 0.00 1.94 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.48 7.81 29 L 7.91 4.00 0.00 1.81 1.72 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.19 4.24 0.00 1.71 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.20 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.09 4.31 0.00 2.15 1.87 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 2.34 2.47 0.00