NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5397 8.2233 120.5336 50.6358 43.3903 175.4844 2 R 4.2891 8.0173 117.8451 57.0073 28.3635 175.8145 3 M 4.6484 8.2169 118.2850 56.5520 37.0529 176.1611 4 A 4.5759 7.7373 117.7517 51.4371 20.1444 175.6776 5 A 4.0397 7.9045 121.4526 52.8205 18.9766 176.5763 6 P 4.4465 0.0000 0.0000 62.8619 32.3803 176.1480 7 R 5.0412 7.8323 112.2980 56.1609 33.2858 173.0132 8 A 5.1963 8.1461 124.3650 49.8677 22.4330 174.3495 9 E 4.3050 8.7759 124.2558 55.1966 31.1495 175.4166 10 A 3.9446 8.4350 129.0883 52.4006 18.7026 177.7992 11 L 3.8389 8.2363 122.1767 57.7516 42.1010 176.8640 12 F 4.9437 8.0269 115.4552 56.5600 44.0160 172.6634 13 D 5.1600 9.1784 119.7729 53.6059 41.4050 175.8272 14 F 4.8185 8.0580 126.7850 57.2020 41.8724 175.2047 15 T 4.1850 6.6858 120.0170 61.4872 70.3352 173.5796 16 G 3.2826 7.4749 113.8356 46.3732 0.0000 170.3824 17 N 4.5115 8.9159 116.7136 54.4156 39.3964 176.4888 18 S 4.9005 7.2431 112.0140 55.9275 65.4578 174.0354 19 K 3.9156 8.7264 118.2254 60.3290 32.2650 177.9251 20 L 4.1341 8.0288 118.9431 56.7697 42.6799 176.8622 21 E 5.0501 7.9921 118.5508 54.4176 31.0522 176.2014 22 L 4.5295 9.3409 127.4154 54.8334 44.0800 175.6108 23 N 4.7678 8.6703 120.3580 51.4135 39.6219 172.8384 24 F 5.2931 7.5095 120.1780 54.9501 41.7040 174.1325 25 K 5.1474 8.7670 115.9110 54.2869 36.6204 175.9205 26 A 4.7098 8.6645 124.7975 55.8831 17.2413 177.3958 27 G 4.1613 8.6791 110.8423 46.7216 0.0000 173.3557 28 D 4.2507 8.2176 121.4586 55.4880 41.0943 173.6331 29 V 3.3120 7.5288 126.2906 62.3668 31.8787 171.1688 30 I 4.5302 7.9012 127.3466 59.8934 39.2550 176.4683 31 F 4.4430 8.2011 117.8430 57.0237 39.3536 172.8146 32 L 4.1088 8.1122 128.2639 54.3979 40.8388 173.9476 33 L 4.5082 9.0755 124.3253 56.7147 42.5705 176.7388 34 S 3.6884 7.4725 112.0999 58.3191 66.3683 174.6708 35 R 4.7020 7.7989 120.9050 54.9653 31.7225 175.4460 36 I 4.1181 8.0034 124.9875 63.3012 37.4140 176.0682 37 N 4.9419 7.2493 114.9242 52.6696 43.7169 174.0654 38 K 4.3886 7.3692 118.3771 57.4217 38.5585 175.8100 39 D 4.6726 7.3396 117.8525 54.1012 42.6792 176.3836 40 W 5.5149 7.6401 118.1368 54.9187 33.2105 174.4357 41 L 5.1894 9.0159 122.4328 53.1424 46.4028 174.4983 42 E 4.9850 8.7580 119.9494 54.8303 32.6191 174.7842 43 G 4.5955 8.4793 109.8627 46.2896 0.0000 171.9323 44 T 5.3710 8.3221 115.5104 60.0664 69.9203 173.3837 45 V 4.5925 8.7877 127.9870 61.1627 34.5695 175.3181 46 R 3.8599 9.4146 119.3973 57.5748 27.3805 176.9724 47 G 3.9005 8.5644 101.7094 45.9503 0.0000 173.7347 48 A 4.7549 8.0490 122.1600 50.2386 21.4205 176.4851 49 T 5.0797 9.7200 117.7783 61.3366 72.0060 174.5513 50 G 4.0191 6.8312 108.8020 44.7096 0.0000 171.9014 51 I 5.0443 8.0415 113.9806 59.5645 40.5487 174.7423 52 F 5.1465 8.6165 117.5199 54.7548 41.8080 171.5473 53 P 5.1062 0.0000 0.0000 62.8096 31.7769 177.1645 54 L 4.2579 9.4909 126.8202 57.5916 42.2388 178.0798 55 S 4.4884 8.3768 110.9900 59.8474 62.3915 173.7493 56 F 5.1279 8.7642 118.1235 57.7652 40.2476 175.0385 57 V 4.5418 7.9011 110.8622 60.0543 36.1781 174.7084 58 K 4.2496 8.9832 126.4880 54.7858 32.7107 174.9094 59 I 3.9358 8.3535 128.4237 62.0686 36.4103 176.0237 60 L 4.2810 8.5919 127.1261 55.8024 42.3364 177.3536 61 K 4.2755 7.3974 118.2400 55.3746 35.4304 174.3298 62 D 4.7156 8.7332 127.2500 53.4221 42.4127 175.6143 63 F 4.1865 8.7886 120.5474 56.4570 39.4823 174.9984 64 P 4.4478 0.0000 0.0000 63.0171 28.8360 174.3207 65 E 4.3972 8.1405 124.3713 55.3445 29.1572 176.3158 66 E 4.1587 8.5515 122.3737 56.5090 29.5446 177.3383 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 D 8.22 4.54 0.00 2.71 2.63 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 0.00 0.00 0.00 0.00 2 R 8.02 4.29 0.00 2.03 2.02 0.00 3.42 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 3 M 8.22 4.65 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 4 A 7.74 4.58 1.16 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 0.00 0.00 5 A 7.90 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.45 0.00 1.25 1.47 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.35 0.00 7 R 7.83 5.04 0.00 1.83 1.70 0.00 2.89 0.00 0.00 3.18 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.00 8 A 8.15 5.20 1.26 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 9 E 8.78 4.31 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 10 A 8.44 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.24 3.84 0.00 1.55 1.09 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.03 4.94 0.00 3.22 3.11 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 0.00 0.00 0.00 13 D 9.18 5.16 0.00 2.75 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 14 F 8.06 4.82 0.00 2.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 6.69 4.18 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 1.01 0.00 0.00 16 G 7.47 3.28 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 0.00 17 N 8.92 4.51 0.00 2.73 2.76 0.00 0.00 6.71 6.81 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 18 S 7.24 4.90 0.00 3.77 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 19 K 8.73 3.92 0.00 1.90 1.94 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 20 L 8.03 4.13 0.00 1.64 1.75 0.91 0.91 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 21 E 7.99 5.05 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 22 L 9.34 4.53 0.00 2.12 2.16 1.11 0.79 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 23 N 8.67 4.77 0.00 2.48 2.58 0.00 0.00 5.82 7.40 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 24 F 7.51 5.29 0.00 3.32 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 25 K 8.77 5.15 0.00 1.89 1.77 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.55 7.81 26 A 8.66 4.71 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 27 G 8.68 4.16 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 0.00 0.00 0.00 28 D 8.22 4.25 0.00 2.96 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 29 V 7.53 3.31 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 0.71 0.00 0.00 0.94 0.00 0.00 30 I 7.90 4.53 1.93 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.10 1.14 0.00 0.00 31 F 8.20 4.44 0.00 2.90 3.14 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 32 L 8.11 4.11 0.00 1.30 1.81 0.77 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.08 4.51 0.00 1.74 1.84 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.47 3.69 0.00 3.78 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 35 R 7.80 4.70 0.00 1.49 1.51 0.00 3.29 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 36 I 8.00 4.12 2.14 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 1.33 1.05 1.10 0.00 0.00 37 N 7.25 4.94 0.00 2.36 2.52 0.00 0.00 6.74 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.37 4.39 0.00 1.70 1.75 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.57 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.04 1.12 7.81 39 D 7.34 4.67 0.00 1.77 2.59 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 0.00 0.00 0.00 0.00 40 W 7.64 5.51 0.00 3.29 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 41 L 9.02 5.19 0.00 0.91 1.45 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.76 4.98 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 43 G 8.48 4.60 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 0.00 0.00 0.00 44 T 8.32 5.37 4.33 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 1.28 0.00 0.00 45 V 8.79 4.59 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 0.92 0.00 0.00 1.08 0.00 0.00 46 R 9.41 3.86 0.00 2.02 2.07 0.00 3.69 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 47 G 8.56 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.05 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.72 5.08 4.30 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 1.35 0.00 0.00 50 G 6.83 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 0.00 0.00 0.00 51 I 8.04 5.04 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.96 0.00 0.00 52 F 8.62 5.15 0.00 2.95 3.42 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 53 P 0.00 5.11 0.00 2.43 2.28 0.00 2.42 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.00 54 L 9.49 4.26 0.00 1.75 1.80 0.99 0.91 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 55 S 8.38 4.49 0.00 4.05 4.05 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 0.00 0.00 0.00 56 F 8.76 5.13 0.00 3.30 3.37 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 57 V 7.90 4.54 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 0.15 0.00 0.00 1.30 0.00 0.00 58 K 8.98 4.25 0.00 1.78 1.78 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 59 I 8.35 3.94 1.89 0.00 0.00 0.97 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 0.98 0.95 0.00 0.00 60 L 8.59 4.28 0.00 1.59 1.66 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.40 4.28 0.00 1.72 1.52 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.52 1.32 7.81 62 D 8.73 4.72 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.79 4.19 0.00 3.04 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 64 P 0.00 4.45 0.00 2.22 2.12 0.00 4.12 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 2.11 2.06 0.00 65 E 8.14 4.40 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 2.31 2.31 0.00 66 E 8.55 4.16 0.00 1.97 1.87 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 2.32 2.31 0.00