NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8836 8.3544 109.7377 45.5099 0.0000 171.4470 2 S 4.6342 8.0923 114.6266 55.1779 65.7161 171.6834 3 H 4.6782 8.9038 116.4530 55.1600 31.1930 172.3857 4 M 4.3660 8.4483 120.2061 53.7879 33.3894 176.2086 5 V 4.1860 8.1158 121.6437 61.1117 33.1815 174.8774 6 N 4.7482 8.5555 124.5938 51.6180 41.1815 174.1030 7 V 4.2864 8.1916 122.9909 60.7240 33.7962 174.3304 8 L 4.5234 7.9541 126.7991 53.5743 45.0011 174.0654 9 K 4.8360 9.7564 123.1867 53.5727 35.3364 176.6060 10 G 3.9495 7.8561 112.5662 45.9915 0.0000 172.2230 11 V 4.2010 7.7084 124.6445 60.7926 33.8999 174.6532 12 L 4.9556 8.4390 129.7794 53.7902 43.7089 175.3195 13 I 4.6709 8.9549 126.6531 59.4618 40.7238 174.2073 14 E 4.8099 8.5634 125.3742 54.8567 32.0426 173.8740 15 C 4.7852 8.4062 125.7314 58.1102 35.2270 172.7572 16 D 4.4880 8.6101 120.5301 52.6488 39.5281 175.5817 17 P 4.3235 0.0000 0.0000 64.1154 31.2185 178.3383 18 A 4.0541 8.2028 121.8543 55.3692 18.3009 179.7622 19 M 4.0740 8.0033 115.1349 58.2716 31.3222 178.6270 20 K 3.7675 7.6948 120.1750 59.3005 32.4013 178.6766 21 Q 4.0425 8.1831 118.6385 58.9440 28.5952 178.8394 22 F 4.4006 8.0087 115.4956 59.7764 37.9413 177.3129 23 L 3.9811 7.3540 121.1922 57.7798 41.8397 178.9795 24 L 4.0504 8.4559 120.2820 59.0045 40.3259 178.6697 25 Y 4.1506 8.0266 120.2282 60.3622 38.6830 177.7377 26 L 4.0211 8.7160 121.8662 57.9328 42.0078 178.3502 27 D 3.8980 8.5646 117.8131 57.1748 41.2172 177.4660 28 E 3.9896 8.2775 118.8778 59.5711 29.7075 178.7869 29 S 4.0554 8.0019 114.1770 58.9509 63.0707 173.8857 30 N 4.1655 8.4656 118.8667 54.2249 37.6367 175.8622 31 A 3.9837 8.3228 120.7708 54.1803 18.7055 179.1387 32 L 3.5069 7.9422 114.0756 53.6204 41.9524 177.9619 33 G 4.0953 8.2419 106.5350 45.8804 0.0000 173.7676 34 K 4.5837 7.4776 117.3524 54.3637 36.0840 176.8596 35 K 4.0020 8.3208 120.8054 55.3061 31.2597 177.4061 36 F 4.2096 7.7237 119.4305 59.4959 38.3691 175.9636 37 I 4.4491 6.6307 125.0996 59.8168 37.5250 175.2548 38 I 4.0396 8.8771 130.3650 63.3745 37.7897 176.8198 39 Q 4.4516 7.7253 116.9247 54.2973 31.3198 173.5574 40 D 4.7435 8.6913 121.7380 53.7055 41.3387 177.5216 41 I 3.9195 8.4783 122.9693 60.6210 36.2217 174.2631 42 D 4.1836 8.8391 117.1705 56.3390 39.5812 171.9769 43 D 4.9113 8.8685 129.8092 54.9581 41.0767 174.4794 44 T 4.4651 7.7585 111.9860 64.4160 71.1756 174.5605 45 H 4.9879 8.0562 118.1874 54.5251 31.0083 174.8617 46 V 4.8201 8.4576 120.7594 61.0195 35.1199 173.8288 47 F 5.3329 8.9125 128.4642 56.2979 42.3188 174.1064 48 V 5.5241 7.8786 124.8648 58.7346 34.8094 174.6793 49 I 4.2479 8.3388 123.6816 60.2880 39.0565 176.5720 50 A 4.0875 8.7045 130.5587 54.9121 18.6730 179.6956 51 E 4.0295 8.3518 115.1855 58.6940 29.8467 177.7337 52 L 4.7677 7.8005 116.3638 55.1187 41.0119 178.5893 53 V 3.6473 7.5747 121.9981 65.2101 31.1723 177.8072 54 N 4.2731 8.2559 116.8287 56.3880 38.2828 177.2022 55 V 3.7013 7.8175 119.5780 65.7257 31.5522 177.9288 56 L 3.8211 7.6706 119.7670 57.9475 41.9134 178.8063 57 Q 3.9844 8.3182 118.8176 58.9186 28.7093 178.5818 58 E 4.0171 8.3396 118.6803 59.1558 29.5240 179.0533 59 R 3.8364 8.0391 119.8510 59.2631 29.8985 178.7579 60 V 3.6185 7.9459 117.2831 65.8872 31.6478 178.0405 61 G 3.6812 8.2004 104.5928 47.7743 0.0000 175.1639 62 E 4.2638 8.5606 120.7803 57.4235 29.5463 178.4350 63 L 4.0236 7.4622 120.3844 58.0167 42.4825 178.0824 64 M 4.1463 8.1986 117.4598 58.3316 32.1315 176.7514 65 D 4.5547 7.9615 115.7740 55.4759 42.0801 176.2759 66 Q 4.3851 7.9146 112.2284 55.5088 31.2654 173.1663 67 N 4.6241 8.8490 119.8648 52.2752 38.5766 174.0684 68 A 4.4680 8.1873 129.8371 50.6431 17.8345 176.0499 69 F 4.3759 7.9237 124.4561 55.3933 38.2914 174.0077 70 S 4.1208 7.3295 114.8941 57.0083 63.3883 174.0446 71 L 4.3689 7.8650 128.4198 54.0288 40.9382 176.2361 72 T 4.0865 8.2498 119.1143 63.5266 67.8598 173.7498 73 Q 4.5821 7.6766 124.6324 56.8909 32.8807 173.2840 74 K 4.0818 7.9663 121.1873 56.7871 33.0868 175.2943 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 G 8.35 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 0.00 0.00 0.00 2 S 8.09 4.63 0.00 3.87 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 3 H 8.90 4.68 0.00 3.21 3.17 0.00 5.76 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 4 M 8.45 4.37 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 5 V 8.12 4.19 2.02 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 0.90 0.00 0.00 0.86 0.00 0.00 6 N 8.56 4.75 0.00 2.59 2.67 0.00 0.00 6.84 7.63 0.00 0.00 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 8.19 4.29 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 0.72 0.00 0.00 0.89 0.00 0.00 8 L 7.95 4.52 0.00 1.26 0.81 0.89 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.76 4.84 0.00 1.76 1.71 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.45 7.81 10 G 7.86 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 0.00 0.00 0.00 11 V 7.71 4.20 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 0.91 0.00 0.00 0.84 0.00 0.00 12 L 8.44 4.96 0.00 1.89 1.61 1.11 1.07 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 13 I 8.95 4.67 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.23 0.91 0.00 0.00 14 E 8.56 4.81 0.00 2.04 1.83 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 0.00 2.16 2.19 0.00 15 C 8.41 4.79 0.00 2.98 2.75 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 16 D 8.61 4.49 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.17 2.27 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 18 A 8.20 4.05 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 19 M 8.00 4.07 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 20 K 7.69 3.77 0.00 1.78 1.92 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.61 7.81 21 Q 8.18 4.04 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 22 F 8.01 4.40 0.00 3.26 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 3.98 0.00 1.45 1.72 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.46 4.05 0.00 1.92 1.91 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.03 4.15 0.00 3.10 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.02 0.00 2.23 2.18 1.00 1.00 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 27 D 8.56 3.90 0.00 2.30 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.28 3.99 0.00 2.01 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 0.00 2.30 2.29 0.00 29 S 8.00 4.06 0.00 3.81 3.74 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 30 N 8.47 4.17 0.00 2.90 2.81 0.00 0.00 6.94 8.21 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 31 A 8.32 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.51 0.00 1.65 1.20 0.30 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.24 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.48 4.58 0.00 1.63 1.68 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.35 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.46 7.81 35 K 8.32 4.00 0.00 1.67 1.64 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.63 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.29 7.81 36 F 7.72 4.21 0.00 3.21 3.23 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 0.00 37 I 6.63 4.45 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.53 0.00 0.00 38 I 8.88 4.04 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.94 0.00 0.00 39 Q 7.73 4.45 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 40 D 8.69 4.74 0.00 2.69 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 41 I 8.48 3.92 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.88 0.00 0.00 42 D 8.84 4.18 0.00 2.74 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 43 D 8.87 4.91 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.76 4.47 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 1.14 0.00 0.00 45 H 8.06 4.99 0.00 3.24 3.26 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.46 4.82 2.08 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 0.91 0.00 0.00 0.95 0.00 0.00 47 F 8.91 5.33 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 5.52 2.13 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 0.90 0.00 0.00 1.00 0.00 0.00 49 I 8.34 4.25 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.96 0.00 0.00 50 A 8.70 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.35 4.03 0.00 2.00 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 2.35 2.28 0.00 52 L 7.80 4.77 0.00 1.86 1.87 1.05 1.12 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 53 V 7.57 3.65 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 1.00 0.00 0.00 0.89 0.00 0.00 54 N 8.26 4.27 0.00 2.86 2.95 0.00 0.00 6.83 7.69 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 55 V 7.82 3.70 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 0.80 0.00 0.00 1.03 0.00 0.00 56 L 7.67 3.82 0.00 1.69 1.66 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.32 3.98 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 58 E 8.34 4.02 0.00 2.23 2.23 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 2.57 2.47 0.00 59 R 8.04 3.84 0.00 1.96 2.00 0.00 3.10 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 60 V 7.95 3.62 2.18 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 0.80 0.00 0.00 1.00 0.00 0.00 61 G 8.20 3.68 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 0.00 0.00 0.00 62 E 8.56 4.26 0.00 2.04 2.11 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 2.44 2.46 0.00 63 L 7.46 4.02 0.00 1.80 1.63 0.90 1.04 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 64 M 8.20 4.15 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 65 D 7.96 4.55 0.00 2.60 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 66 Q 7.91 4.39 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 67 N 8.85 4.62 0.00 2.69 2.81 0.00 0.00 6.99 8.03 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 68 A 8.19 4.47 1.25 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 0.00 0.00 0.00 69 F 7.92 4.38 0.00 3.02 3.16 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 70 S 7.33 4.12 0.00 3.84 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 71 L 7.87 4.37 0.00 1.58 1.40 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.25 4.09 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 1.18 0.00 0.00 73 Q 7.68 4.58 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 74 K 7.97 4.08 0.00 1.71 1.59 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.35 7.81