NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 4.9454 8.2593 120.5413 55.7112 30.5475 174.9886 2 P 4.3201 0.0000 0.0000 60.0427 31.7346 174.5564 3 P 4.1042 0.0000 0.0000 63.5250 33.1429 176.1432 4 R 3.5173 8.6633 116.8923 57.5706 26.2100 175.2841 5 S 3.5907 8.0194 118.5368 57.7258 64.1810 171.7898 6 Y 5.0302 8.3548 116.9259 56.6201 41.0001 175.0798 7 T 5.5265 8.3541 118.0718 60.7629 72.3143 173.1483 8 C 4.4482 8.6910 126.2740 58.8269 32.9060 173.5710 9 S 4.8840 8.8712 120.5763 58.7500 63.0377 173.7704 10 F 4.5036 8.4741 121.0901 60.2869 39.4180 175.4956 11 C 4.7642 8.1575 111.9260 56.9772 30.1504 173.9166 12 K 4.1427 8.0890 117.8938 57.5583 30.0791 175.7239 13 R 4.1448 7.3527 116.2769 56.2808 31.3388 175.4272 14 E 4.5741 7.7058 119.2292 54.3089 32.1137 175.5871 15 F 4.5297 8.2057 116.6949 56.1107 40.0498 175.1274 16 R 4.0192 9.0712 122.3215 58.2778 29.8655 177.5609 17 S 4.5819 8.1104 114.7495 57.1382 64.6835 174.5722 18 A 3.8674 8.7951 128.6029 55.1785 18.0144 179.1703 19 Q 3.8674 8.1464 115.8000 59.2887 28.8118 179.1931 20 A 3.9672 7.8075 120.8877 54.8847 18.7097 178.8977 21 L 2.4400 7.4395 118.9242 57.8368 41.7874 179.2960 22 G 3.6125 7.9080 104.6655 47.9682 0.0000 175.4906 23 G 3.6884 7.5094 107.3377 47.3433 0.0000 175.2320 24 H 4.1920 7.8137 120.5516 59.3113 29.8731 177.0257 25 M 3.9617 7.7325 119.7046 58.3839 30.5649 177.6068 26 N 4.2241 7.7263 116.5539 56.6637 38.9099 177.2317 27 V 3.7297 7.0395 118.3110 65.3093 31.3713 176.6340 28 H 4.1157 7.7074 115.8395 52.6945 28.0672 174.8977 29 R 3.9339 7.5536 122.1740 57.3298 29.7141 176.3366 30 R 4.3241 7.1384 114.4967 54.7200 31.0869 177.3890 31 D 4.2341 9.3940 124.0214 54.7075 40.7194 173.5982 32 R 3.9755 8.3712 121.2778 58.3202 28.4197 177.1648 33 A 3.5281 8.6325 113.9913 53.9614 15.0711 175.4328 34 R 4.2041 8.6869 126.9198 55.6754 30.5916 177.2252 35 L 4.1646 8.4026 123.0916 55.8838 42.5383 173.9680 36 R 4.8399 7.7730 110.4630 56.9817 36.2454 174.5009 37 L 4.0508 7.6213 122.3017 55.7130 39.9952 174.7204 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 W 8.26 4.95 0.00 3.91 3.32 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 0.00 2 P 0.00 4.32 0.00 2.27 2.09 0.00 4.03 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 3 P 0.00 4.10 0.00 2.14 2.11 0.00 3.92 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 4 R 8.66 3.52 0.00 1.93 1.96 0.00 3.33 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 5 S 8.02 3.59 0.00 4.07 3.87 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 6 Y 8.35 5.03 0.00 3.28 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 7 T 8.35 5.53 4.25 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 1.25 0.00 0.00 8 C 8.69 4.45 0.00 3.46 3.08 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 0.00 0.00 0.00 0.00 9 S 8.87 4.88 0.00 4.14 4.14 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 10 F 8.47 4.50 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.76 0.00 3.25 3.34 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 12 K 8.09 4.14 0.00 1.88 1.92 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.44 7.81 13 R 7.35 4.14 0.00 1.83 1.56 0.00 3.20 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 14 E 7.71 4.57 0.00 1.69 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 15 F 8.21 4.53 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 16 R 9.07 4.02 0.00 1.98 2.13 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 17 S 8.11 4.58 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 3.87 1.32 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 0.00 0.00 0.00 19 Q 8.15 3.87 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 20 A 7.81 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.44 2.44 0.00 1.47 1.37 -0.23 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.91 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.81 4.19 0.00 3.11 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 7.73 3.96 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 26 N 7.73 4.22 0.00 2.77 2.99 0.00 0.00 6.83 7.55 0.00 0.00 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 V 7.04 3.73 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 0.67 0.00 0.00 0.85 0.00 0.00 28 H 7.71 4.12 0.00 3.08 2.67 0.00 5.76 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 29 R 7.55 3.93 0.00 2.02 1.87 0.00 3.24 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 30 R 7.14 4.32 0.00 1.59 1.87 0.00 3.35 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 31 D 9.39 4.23 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.37 3.98 0.00 2.16 2.11 0.00 3.36 0.00 0.00 3.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 33 A 8.63 3.53 1.35 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 0.00 0.00 0.00 34 R 8.69 4.20 0.00 1.97 2.09 0.00 3.35 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 35 L 8.40 4.16 0.00 1.87 1.77 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.77 4.84 0.00 1.90 1.95 0.00 3.10 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 37 L 7.62 4.05 0.00 1.70 1.59 0.88 0.47 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