NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0070 7.9085 120.3927 62.4260 32.9369 176.1949 7 A 3.7562 8.4374 127.8738 54.4802 18.3456 178.4198 8 C 3.7188 7.7365 117.1820 62.5778 32.1880 174.1571 9 T 3.8565 7.5920 110.8960 64.8544 68.5112 176.3544 10 L 3.9674 8.0783 121.8986 57.2906 41.6244 179.3152 11 A 3.9485 8.2190 120.8197 55.0026 18.2582 179.5796 12 A 4.0382 7.7412 119.0082 55.3931 18.5385 179.9082 13 L 4.0066 7.9085 117.3925 57.8859 41.5903 179.5979 14 I 3.6950 7.8751 118.6187 64.0291 37.8499 177.9286 15 L 3.9831 8.0486 119.8698 58.1414 41.3390 179.0427 16 H 4.0795 8.4726 118.2231 59.1707 29.5624 176.7940 17 D 4.3210 8.0865 119.0941 57.5312 41.1557 177.8026 18 D 4.5370 8.2451 118.7311 55.5239 40.7538 177.4166 19 G 3.9252 7.6920 107.1162 45.2099 0.0000 172.6433 20 I 4.4961 7.5399 118.9784 57.6380 40.1206 173.7414 21 P 4.3898 0.0000 0.0000 62.8570 31.7710 176.7475 22 I 4.1626 8.1030 121.8977 60.6398 36.1336 175.0999 23 T 4.7624 7.8033 118.7521 59.1028 72.1900 173.7118 24 S 4.1255 8.5090 115.6810 61.3556 62.2978 175.6236 25 E 3.9759 8.1295 120.6973 59.5136 29.2051 179.3995 26 K 3.9820 7.9889 117.9187 59.4516 32.1230 179.1488 27 I 3.6667 8.1032 118.8876 63.9460 37.8095 177.7604 28 A 3.9756 8.1717 121.7218 55.3780 18.2289 179.5296 29 T 3.7547 8.1179 111.6837 65.3212 67.4694 176.6051 30 V 3.5832 7.5337 120.2898 65.8605 31.4277 178.1040 31 V 3.5564 8.0065 118.2013 66.0195 31.1577 178.1714 32 K 3.9523 8.1407 116.9782 59.4276 31.9559 178.8352 33 A 4.1017 7.9245 119.8213 55.1240 18.3272 179.2107 34 A 4.0877 7.8340 118.6618 53.7518 18.5067 178.6889 35 G 3.9271 7.7371 103.5263 45.1142 0.0000 173.1044 36 I 4.0532 7.1946 119.5468 59.3196 38.9385 175.3728 37 K 4.0791 8.3143 128.4009 56.2196 32.7774 176.2924 38 V 3.9129 8.1186 124.6454 62.3602 31.7823 175.1309 39 E 4.6924 8.6066 125.0794 54.3292 32.4459 176.4827 40 A 4.3036 8.9336 127.5133 55.5987 19.1197 178.9410 41 Y 4.2503 8.3619 113.2706 61.0243 37.8605 178.7713 42 W 4.0366 8.1600 120.1632 59.4757 29.2085 176.9082 43 P 4.4684 0.0000 0.0000 65.4880 30.7564 178.5372 44 A 4.0310 8.0951 119.3619 55.0480 18.3120 179.3952 45 L 3.8081 8.1081 118.9721 58.1506 42.1297 178.9820 46 F 3.6929 8.3676 120.3928 61.1485 39.3218 176.9399 47 A 3.9992 8.3429 120.4979 55.0299 17.9552 179.4987 48 K 3.7976 7.7448 117.1063 59.4640 32.3320 178.4850 49 L 3.9688 8.0670 119.8355 58.1952 41.9985 178.7991 50 L 3.9050 7.6837 118.6828 56.1947 41.5922 177.0763 51 E 3.7474 7.5220 119.2155 57.6713 29.8775 176.2819 52 K 3.8385 8.6814 123.8166 57.0216 30.7564 174.6272 53 R 4.4476 7.2787 115.9856 53.9290 31.6850 176.7606 54 S 4.2603 8.3356 118.3606 58.1344 62.3223 175.0509 55 V 3.6033 8.1096 123.7429 64.1693 31.2173 177.9767 56 D 4.3399 7.9092 117.2328 57.6455 40.8622 178.1951 57 D 4.4796 7.6396 117.3687 57.1841 40.8727 178.2785 58 L 4.0747 7.6731 120.9244 58.2871 41.8953 178.8387 59 I 3.6313 7.3329 118.0641 64.0458 37.1630 176.4948 60 L 4.4090 7.4650 119.2749 55.3083 43.2191 177.2060 61 S 4.6428 7.3874 116.2412 60.0103 61.5540 174.2722 62 V 3.8662 9.1338 114.1380 63.1748 30.6307 170.7544 63 G 4.0324 8.3616 112.2842 45.4654 0.0000 173.9512 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 6 V 7.91 4.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 7 A 8.44 3.76 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 8 C 7.74 3.72 0.00 2.89 2.68 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 0.00 0.00 0.00 9 T 7.59 3.86 4.34 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 1.42 0.00 0.00 10 L 8.08 3.97 0.00 1.74 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.22 3.95 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 12 A 7.74 4.04 1.70 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 13 L 7.91 4.01 0.00 1.81 1.76 1.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.88 3.70 1.87 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 1.50 0.96 0.00 0.00 15 L 8.05 3.98 0.00 1.95 1.91 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.47 4.08 0.00 3.32 3.36 0.00 5.79 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 D 8.09 4.32 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.54 0.00 2.87 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 19 G 7.69 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 20 I 7.54 4.50 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 0.99 0.00 0.00 21 P 0.00 4.39 0.00 2.24 2.06 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 22 I 8.10 4.16 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 1.14 0.00 0.00 23 T 7.80 4.76 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 1.30 0.00 0.00 24 S 8.51 4.13 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.98 0.00 2.07 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 2.42 2.42 0.00 26 K 7.99 3.98 0.00 1.93 1.88 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 27 I 8.10 3.67 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 1.03 0.00 0.00 28 A 8.17 3.98 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 29 T 8.12 3.75 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 30 V 7.53 3.58 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 0.92 0.00 0.00 0.99 0.00 0.00 31 V 8.01 3.56 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 1.00 0.00 0.00 0.92 0.00 0.00 32 K 8.14 3.95 0.00 1.94 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.58 7.81 33 A 7.92 4.10 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 A 7.83 4.09 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 35 G 7.74 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 36 I 7.19 4.05 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.94 0.00 0.00 37 K 8.31 4.08 0.00 1.71 1.65 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.34 7.81 38 V 8.12 3.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 39 E 8.61 4.69 0.00 2.24 2.24 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 2.22 1.93 0.00 40 A 8.93 4.30 1.37 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 41 Y 8.36 4.25 0.00 2.68 2.17 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 42 W 8.16 4.04 0.00 3.67 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 43 P 0.00 4.47 0.00 2.18 2.19 0.00 4.34 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.12 0.00 44 A 8.10 4.03 1.48 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 45 L 8.11 3.81 0.00 1.70 1.91 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.37 3.69 0.00 3.52 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 47 A 8.34 4.00 1.43 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 0.00 0.00 0.00 48 K 7.74 3.80 0.00 1.86 1.93 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 L 8.07 3.97 0.00 1.61 1.46 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.68 3.91 0.00 1.63 1.59 -0.23 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.52 3.75 0.00 1.99 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 2.30 2.29 0.00 52 K 8.68 3.84 0.00 1.89 1.83 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.39 7.81 53 R 7.28 4.45 0.00 1.72 1.95 0.00 3.25 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 54 S 8.34 4.26 0.00 3.91 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 55 V 8.11 3.60 2.01 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 0.82 0.00 0.00 0.59 0.00 0.00 56 D 7.91 4.34 0.00 2.63 2.73 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 57 D 7.64 4.48 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.67 4.07 0.00 1.66 1.65 0.91 1.01 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 59 I 7.33 3.63 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.92 0.00 0.00 60 L 7.47 4.41 0.00 1.59 1.67 0.92 0.88 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 61 S 7.39 4.64 0.00 3.86 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 9.13 3.87 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 63 G 8.36 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 0.00 0.00 0.00