NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3555 8.2644 123.5836 51.4511 21.0192 176.5606 5 N 4.3075 7.4809 113.1005 52.2964 42.2715 172.4019 6 K 4.3044 8.6451 112.6966 58.6311 33.8765 177.8587 7 R 3.8178 7.9758 118.5708 59.8525 29.8733 177.7565 8 N 4.2926 8.1898 115.6078 56.0938 38.6457 176.6270 9 E 3.9397 8.2677 118.9002 59.8319 29.6184 179.5255 10 A 4.0370 8.7688 120.8070 55.1081 18.4291 179.6735 11 L 3.8926 7.8105 117.3579 58.1454 41.9604 179.5834 12 R 4.0394 8.4522 118.8839 59.6289 29.7829 178.4243 13 I 3.9987 7.8558 119.3694 63.7542 37.3223 177.6338 14 E 3.9733 8.4659 120.8936 60.1070 29.5021 178.1821 15 S 4.0797 8.9635 113.8509 61.0851 62.4856 176.6067 16 A 3.9685 8.0513 122.3026 54.1133 18.6734 179.3350 17 L 3.9474 8.1923 119.1451 58.1243 41.9510 178.7252 18 L 3.9753 8.4358 119.2490 58.2684 41.6884 178.8311 19 N 4.3079 8.6971 116.7334 57.2466 38.6418 177.0412 20 K 4.2974 7.8364 119.0516 59.0478 30.9937 179.0757 21 I 3.9508 8.5842 119.8020 62.7835 36.9809 177.1396 22 A 4.6479 7.4692 120.8700 53.5598 20.1919 177.9670 23 M 4.0880 8.3898 112.8729 56.7909 32.3165 175.8391 24 L 4.4382 8.4601 118.7883 57.3145 44.4720 176.7543 25 G 4.1500 7.3327 107.3472 45.1576 0.0000 174.3516 26 T 4.1811 8.5022 114.2726 62.3191 69.5383 176.1637 27 E 4.3161 8.0787 122.8636 59.2931 30.2462 178.3017 28 K 3.9284 7.7616 117.7291 59.7976 30.8810 179.1156 29 T 3.6787 8.0460 115.2326 66.8480 68.3030 176.1335 30 A 3.8211 7.7805 121.7378 55.2277 18.3394 178.7818 31 E 3.7058 7.8923 117.6911 59.3746 29.5278 178.8572 32 A 3.5238 8.2471 121.3589 54.3463 18.4963 178.1774 33 V 3.8770 6.6415 113.1608 61.7250 31.8082 175.4672 34 G 3.8657 8.8413 106.2889 46.7233 0.0000 173.6047 35 V 4.1751 7.0287 118.2035 59.9908 33.1448 175.1559 36 D 4.4100 8.3588 125.7949 54.3488 41.5941 176.7496 37 K 4.1264 8.4723 124.9444 58.0031 32.5368 177.2319 38 S 4.7140 9.2955 113.7030 58.8717 63.0207 174.8312 39 Q 4.6306 7.7661 116.8271 55.3361 33.4268 176.0222 40 I 3.6931 7.7053 118.7121 64.3711 37.4566 177.6851 41 S 4.2389 8.0175 113.8727 61.1890 63.3464 176.1180 42 R 4.0372 7.9254 121.8474 58.9426 30.0000 177.6985 43 W 4.4948 8.6235 128.6707 61.0154 30.3006 177.9121 44 K 4.0770 8.3247 118.0011 59.4356 31.1805 179.3518 45 R 3.7733 8.1194 118.7011 59.5445 30.2547 178.0505 46 D 4.1267 7.8891 116.3456 55.6231 41.0514 177.1418 47 W 4.0040 7.5071 117.4014 57.9451 30.8488 177.6583 48 I 3.7587 6.7607 119.2635 64.3148 36.5829 176.4350 49 P 4.2236 0.0000 0.0000 65.5190 31.0859 178.4557 50 K 3.8263 7.9469 117.3805 59.5292 31.8751 178.9939 51 F 4.4762 7.9961 117.1640 61.2463 38.8826 178.0770 52 S 4.1560 8.3844 114.6473 61.7760 62.6397 176.4131 53 M 4.0433 8.1236 120.9275 58.3526 32.0018 177.7245 54 L 3.9541 8.1958 120.7766 58.5177 42.2274 178.9993 55 L 4.0890 8.2825 118.6998 57.7267 41.4997 179.5797 56 A 4.0241 8.0955 120.6908 55.0748 18.1517 179.7428 57 V 3.5893 8.1746 115.7737 66.2424 31.8065 177.9271 58 L 4.2139 8.3993 115.7919 54.9210 41.8219 176.5945 59 E 3.9191 8.2556 117.6589 56.8445 27.4791 174.8813 60 W 3.9351 8.9820 128.6640 57.1714 31.3458 175.9130 61 G 3.5726 7.9653 114.9652 45.1671 0.0000 172.6223 62 V 4.3118 8.2265 126.2205 60.7208 32.6073 175.1993 63 V 4.3420 8.2193 121.1713 59.7893 33.3102 176.4520 64 D 4.7291 8.3397 124.0139 52.6834 42.0108 176.9969 65 D 4.3818 8.7248 120.2401 58.0119 40.6398 179.2891 66 D 4.3546 8.0808 118.5674 57.6726 41.0005 178.5408 67 M 4.0411 9.1267 119.3298 58.1049 31.8778 178.5701 68 A 3.9495 8.2005 121.1118 55.1753 18.5284 179.5081 69 R 3.8087 8.0206 116.9635 59.6961 30.2078 178.4419 70 L 3.9520 8.1790 118.6836 57.8290 41.6149 179.3897 71 A 3.9652 8.4425 120.7695 55.3685 18.3357 179.8972 72 R 3.8392 8.1222 116.5212 59.4023 30.2733 179.0939 73 Q 3.9224 8.4236 119.7112 59.0991 28.9730 178.4817 74 V 3.5418 8.3150 119.3208 65.9096 31.5979 177.5338 75 A 3.9453 8.5807 120.5215 55.4783 18.0453 179.3423 76 A 4.0780 8.3871 117.7975 55.3207 18.4281 179.8286 77 I 3.8781 7.5339 117.8019 64.5177 37.4368 178.4246 78 L 4.0766 8.1610 120.3504 57.9045 41.1858 179.2489 79 T 4.1090 8.2557 106.4131 61.1891 68.7302 174.0430 80 N 4.8910 7.8402 125.3378 53.4808 40.5979 173.6091 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 4 A 8.26 4.36 1.31 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 0.00 0.00 5 N 7.48 4.31 0.00 2.70 2.64 0.00 0.00 7.03 5.80 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 6 K 8.65 4.30 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.56 7.81 7 R 7.98 3.82 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 8 N 8.19 4.29 0.00 2.78 2.82 0.00 0.00 7.09 7.66 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 9 E 8.27 3.94 0.00 2.13 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 0.00 2.44 2.39 0.00 10 A 8.77 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 3.89 0.00 1.93 1.73 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.45 4.04 0.00 1.94 2.09 0.00 3.28 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 13 I 7.86 4.00 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.95 0.00 0.00 14 E 8.47 3.97 0.00 2.17 2.12 0.00 0.00 0.00 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 2.35 0.00 15 S 8.96 4.08 0.00 4.06 4.02 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 0.00 0.00 0.00 0.00 16 A 8.05 3.97 1.46 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 0.00 0.00 0.00 17 L 8.19 3.95 0.00 2.11 1.72 0.94 0.57 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 18 L 8.44 3.98 0.00 1.91 1.77 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.70 4.31 0.00 2.80 3.01 0.00 0.00 7.27 6.79 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 20 K 7.84 4.30 0.00 1.84 1.88 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.67 7.81 21 I 8.58 3.95 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 1.00 0.00 0.00 22 A 7.47 4.65 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 23 M 8.39 4.09 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 24 L 8.46 4.44 0.00 1.62 1.72 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.33 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.18 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 1.23 0.00 0.00 27 E 8.08 4.32 0.00 2.00 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 2.25 2.46 0.00 28 K 7.76 3.93 0.00 1.74 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 29 T 8.05 3.68 4.22 0.00 0.00 0.00 0.00 0.00 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 30 A 7.78 3.82 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 31 E 7.89 3.71 0.00 1.93 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 2.24 2.27 0.00 32 A 8.25 3.52 1.21 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 0.00 0.00 0.00 33 V 6.64 3.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.41 0.00 0.00 34 G 8.84 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 0.00 0.00 0.00 35 V 7.03 4.18 1.63 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 0.66 0.00 0.00 0.30 0.00 0.00 36 D 8.36 4.41 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.13 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.49 7.81 38 S 9.30 4.71 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.77 4.63 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 40 I 7.71 3.69 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.97 0.00 0.00 41 S 8.02 4.24 0.00 4.12 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 42 R 7.93 4.04 0.00 1.97 2.28 0.00 3.27 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.72 0.00 43 W 8.62 4.49 0.00 3.61 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.08 0.00 2.06 1.99 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 2.08 7.81 45 R 8.12 3.77 0.00 1.77 2.12 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 46 D 7.89 4.13 0.00 2.19 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 0.00 0.00 0.00 0.00 47 W 7.51 4.00 0.00 1.81 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 0.00 0.00 0.00 48 I 6.76 3.76 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.97 0.00 0.00 49 P 0.00 4.22 0.00 2.04 2.03 0.00 3.44 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 50 K 7.95 3.83 0.00 1.67 1.65 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 1.15 7.81 51 F 8.00 4.48 0.00 3.22 2.95 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 52 S 8.38 4.16 0.00 4.09 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 53 M 8.12 4.04 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 54 L 8.20 3.95 0.00 1.87 1.90 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.28 4.09 0.00 1.97 1.77 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.10 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.59 2.28 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 0.90 0.00 0.00 1.01 0.00 0.00 58 L 8.40 4.21 0.00 1.85 1.98 0.99 1.04 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 59 E 8.26 3.92 0.00 2.16 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 0.00 2.28 2.41 0.00 60 W 8.98 3.94 0.00 3.49 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.97 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.31 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 0.95 0.00 0.00 1.23 0.00 0.00 63 V 8.22 4.34 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 0.81 0.00 0.00 0.95 0.00 0.00 64 D 8.34 4.73 0.00 2.96 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 65 D 8.72 4.38 0.00 2.72 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 66 D 8.08 4.35 0.00 2.83 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 67 M 9.13 4.04 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.99 0.00 68 A 8.20 3.95 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 69 R 8.02 3.81 0.00 1.99 2.08 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 70 L 8.18 3.95 0.00 2.04 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.44 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.12 3.84 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 73 Q 8.42 3.92 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 74 V 8.32 3.54 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 1.04 0.00 0.00 0.95 0.00 0.00 75 A 8.58 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.39 4.08 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 77 I 7.53 3.88 2.00 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 1.81 1.08 0.91 0.00 0.00 78 L 8.16 4.08 0.00 1.78 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.26 4.11 4.24 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 0.00 0.00 1.27 0.00 0.00 80 N 7.84 4.89 0.00 2.81 2.75 0.00 0.00 7.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00