NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2465 0.0000 0.0000 62.9146 32.4685 175.5950 17 S 3.4867 7.9032 110.6218 60.1713 60.3399 170.6189 18 R 4.5588 8.5591 120.9038 54.5011 31.6781 176.6367 19 K 4.3523 7.8914 127.6583 54.8369 33.1930 174.8302 20 A 3.5718 8.2357 127.9406 51.2464 16.7983 178.1039 21 K 4.1152 8.3423 120.8887 57.4237 32.6650 178.7984 22 V 3.5203 8.4526 123.1573 65.6274 31.6399 177.4228 23 K 4.2312 8.2313 119.6054 59.2572 31.9198 177.2133 24 A 4.0056 7.4224 120.5578 55.9303 19.1047 178.6349 25 T 4.2299 7.5667 105.9083 59.7718 67.1656 173.4621 26 L 4.3646 7.0318 120.4618 55.5029 45.8175 174.0819 27 G 4.2623 8.4556 113.3948 44.8469 0.0000 173.1285 28 E 4.1309 8.7669 123.5555 56.2498 30.4731 176.7806 29 F 4.6337 7.4855 115.2992 56.1473 40.0342 173.8177 30 D 4.5048 8.4587 123.4887 53.3409 39.7268 176.5027 31 L 4.1889 8.3706 126.7369 56.8815 41.8739 178.3049 32 R 4.4399 7.9374 116.5351 55.0430 29.8876 175.2089 33 D 4.5007 8.3592 118.4021 52.5850 40.4193 175.9382 34 Y 4.6435 7.9771 123.2302 57.5815 38.1220 176.3500 35 R 4.4710 7.1923 117.3147 56.6198 32.5224 176.9916 36 N 4.7795 7.5413 118.1827 52.0700 34.9575 174.6666 37 V 3.5819 7.6531 126.1569 66.3675 31.8915 176.6348 38 E 4.0480 8.2252 114.8659 59.1121 29.3385 178.5886 39 V 3.7568 7.3968 118.0741 65.0456 32.0716 177.6510 40 L 4.1526 8.1306 119.0207 57.9274 41.4149 179.2339 41 K 3.7054 8.6159 119.7627 60.0087 31.6610 178.6440 42 R 3.7651 7.3388 116.9212 58.7489 30.1448 178.0576 43 F 4.4902 8.5684 115.9289 57.1934 39.1556 174.9632 44 L 5.1248 6.8925 119.4937 52.9622 43.6335 177.7465 45 S 4.5686 8.4071 117.1961 57.9040 65.0582 173.4461 46 E 4.0171 8.8475 118.0559 60.2313 29.3742 177.4003 47 T 4.3498 7.4067 114.3566 62.8273 70.1224 174.6577 48 G 4.0848 8.4778 110.4409 45.9876 0.0000 173.8042 49 K 4.3076 7.7444 119.5304 55.5121 33.6099 176.4483 50 I 4.2777 8.2790 125.3206 61.1214 37.4554 176.0914 51 L 4.1747 8.8783 128.3759 54.3055 42.5367 176.8744 52 P 4.5424 0.0000 0.0000 62.5547 33.4879 177.2302 53 R 4.6424 8.3557 117.1985 58.7630 29.8842 179.0100 54 R 3.9319 8.1384 116.7401 58.4698 30.1594 177.9133 55 R 4.4734 7.7984 116.8148 57.9348 31.4325 178.3106 56 T 4.1330 8.0761 109.7861 63.4265 68.5468 176.4988 57 G 3.9843 8.5249 108.8282 45.2000 0.0000 173.2432 58 L 4.3360 7.3125 119.3187 54.9025 42.4094 176.4618 59 S 4.8467 8.7889 115.3601 56.5470 66.5305 174.8684 60 G 3.8080 8.5720 107.5962 48.4877 0.0000 175.4705 61 K 3.9486 7.8841 121.3381 58.8453 32.5970 178.4047 62 E 4.0057 7.9390 118.9533 59.4855 29.4615 178.7743 63 Q 3.9015 8.5809 119.7636 59.6771 29.1557 179.1274 64 R 3.9346 7.9705 118.8258 58.9771 30.0677 178.2122 65 I 4.0371 8.0664 119.8789 63.0659 37.3484 177.8422 66 L 3.8134 7.6685 120.7908 58.0214 41.8877 178.3065 67 A 3.9011 7.7971 120.6155 55.3968 18.0778 179.3404 68 K 3.7677 7.3592 115.0904 60.2008 32.3399 178.7353 69 T 4.0323 8.0056 115.8414 66.5097 68.3550 176.3473 70 I 3.7801 8.3905 121.7509 64.8238 36.8663 178.6791 71 K 3.8220 8.3088 118.6806 58.9107 31.4895 179.6782 72 R 3.8902 7.9601 118.3010 58.7915 30.4178 178.1156 73 A 4.2168 7.9155 120.0337 55.4071 18.3146 179.3113 74 R 4.3968 7.9426 117.9528 59.1038 29.9060 179.2892 75 I 3.9214 7.1351 116.3818 64.4078 37.1776 177.9657 76 L 4.2575 7.7380 118.0008 55.6233 41.4813 178.1352 77 G 4.1049 8.6117 108.6146 45.1874 0.0000 175.5922 78 L 4.1379 7.7867 118.5906 56.7173 42.2907 176.9933 79 L 4.8840 7.3332 114.3925 51.9173 45.0999 174.2550 80 P 5.0481 0.0000 0.0000 62.5398 32.6451 175.8301 81 F 4.4903 8.9430 116.9604 59.0890 40.1567 176.5123 82 T 4.7672 7.6642 111.6441 60.5335 70.2542 172.1629 83 E 4.8366 8.4980 125.2199 54.2408 33.2900 175.4148 84 K 4.4127 8.3204 119.8704 55.4514 34.2650 175.9343 85 L 4.1549 8.3019 123.4918 54.5444 42.5815 176.9041 86 V 4.2040 8.7303 120.2187 61.9001 31.6686 177.0101 87 R 4.6518 8.6290 128.0273 56.2808 31.4326 174.7774 88 K 4.1851 8.5262 129.1572 57.8102 32.9018 175.3338 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 16 P 0.00 4.25 0.00 2.20 2.18 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 17 S 7.90 3.49 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 4.56 0.00 1.80 1.84 0.00 3.41 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 19 K 7.89 4.35 0.00 1.68 1.72 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 20 A 8.24 3.57 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.12 0.00 1.91 1.82 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.67 7.81 22 V 8.45 3.52 2.05 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 -0.08 0.00 0.00 0.82 0.00 0.00 23 K 8.23 4.23 0.00 2.09 1.93 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.67 7.81 24 A 7.42 4.01 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 25 T 7.57 4.23 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 1.20 0.00 0.00 26 L 7.03 4.36 0.00 1.56 1.76 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.46 4.26 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 0.00 0.00 0.00 28 E 8.77 4.13 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 29 F 7.49 4.63 0.00 3.14 2.98 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 0.00 0.00 0.00 0.00 30 D 8.46 4.50 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 31 L 8.37 4.19 0.00 1.65 1.75 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.94 4.44 0.00 1.81 2.02 0.00 3.12 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 33 D 8.36 4.50 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 4.64 0.00 3.11 3.06 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 0.00 0.00 0.00 35 R 7.19 4.47 0.00 1.65 1.92 0.00 3.13 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.13 0.00 36 N 7.54 4.78 0.00 3.05 2.73 0.00 0.00 6.62 7.59 0.00 0.00 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 V 7.65 3.58 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 1.03 0.00 0.00 0.98 0.00 0.00 38 E 8.23 4.05 0.00 2.11 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 2.26 2.31 0.00 39 V 7.40 3.76 2.21 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 0.68 0.00 0.00 0.89 0.00 0.00 40 L 8.13 4.15 0.00 1.74 1.77 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.62 3.71 0.00 2.04 1.75 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 R 7.34 3.77 0.00 1.18 1.51 0.00 3.21 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 43 F 8.57 4.49 0.00 3.21 3.03 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 44 L 6.89 5.12 0.00 1.70 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.41 4.57 0.00 3.96 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 46 E 8.85 4.02 0.00 1.96 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 2.32 2.39 0.00 47 T 7.41 4.35 4.26 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 1.29 0.00 0.00 48 G 8.48 4.08 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 0.00 0.00 0.00 49 K 7.74 4.31 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.49 7.81 50 I 8.28 4.28 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.91 0.00 0.00 51 L 8.88 4.17 0.00 1.68 1.67 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.54 0.00 2.17 2.03 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 53 R 8.36 4.64 0.00 1.83 1.98 0.00 3.73 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.52 0.00 54 R 8.14 3.93 0.00 1.77 2.02 0.00 3.23 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 55 R 7.80 4.47 0.00 1.84 1.97 0.00 3.31 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 56 T 8.08 4.13 4.37 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 1.48 0.00 0.00 57 G 8.52 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.31 4.34 0.00 1.75 1.63 0.56 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.79 4.85 0.00 4.01 3.98 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 0.00 0.00 0.00 0.00 60 G 8.57 3.81 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 0.00 0.00 0.00 61 K 7.88 3.95 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 62 E 7.94 4.01 0.00 2.19 1.93 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 2.28 2.28 0.00 63 Q 8.58 3.90 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 64 R 7.97 3.93 0.00 2.06 2.04 0.00 3.12 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 65 I 8.07 4.04 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.91 0.00 0.00 66 L 7.67 3.81 0.00 1.50 1.68 0.41 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.80 3.90 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 68 K 7.36 3.77 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 69 T 8.01 4.03 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 70 I 8.39 3.78 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.84 0.00 0.00 71 K 8.31 3.82 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.59 7.81 72 R 7.96 3.89 0.00 1.93 1.69 0.00 3.14 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 73 A 7.92 4.22 1.36 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 0.00 0.00 0.00 74 R 7.94 4.40 0.00 1.51 0.75 0.00 2.56 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 75 I 7.14 3.92 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.70 0.95 0.00 0.00 76 L 7.74 4.26 0.00 1.90 1.78 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.61 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 78 L 7.79 4.14 0.00 1.69 1.78 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.33 4.88 0.00 1.76 1.46 0.92 0.89 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 80 P 0.00 5.05 0.00 2.24 2.10 0.00 3.75 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 1.99 2.00 0.00 81 F 8.94 4.49 0.00 2.93 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 82 T 7.66 4.77 4.32 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 1.25 0.00 0.00 83 E 8.50 4.84 0.00 2.02 1.80 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 2.28 2.42 0.00 84 K 8.32 4.41 0.00 1.86 1.80 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.42 7.81 85 L 8.30 4.15 0.00 1.61 1.62 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.73 4.20 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 0.78 0.00 0.00 0.93 0.00 0.00 87 R 8.63 4.65 0.00 1.91 1.41 0.00 3.44 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 0.00 88 K 8.53 4.19 0.00 1.90 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81