NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4760 8.0433 122.7554 55.0083 44.0496 175.0205 2 E 4.9138 9.4439 126.3101 54.6898 31.7083 173.1068 3 C 5.2651 9.6656 121.8149 55.1288 45.0322 173.2407 4 H 5.4309 9.3121 119.4902 55.6745 28.9364 175.1820 5 N 5.4662 8.7938 115.4175 51.3081 39.0632 174.4900 6 Q 4.1757 8.1181 117.4860 56.0790 29.9456 175.0747 7 Q 4.5301 8.4546 120.4824 56.5310 31.6405 176.1003 8 S 3.4138 8.3549 121.1296 60.2603 63.0719 173.3557 9 S 4.5926 8.8225 122.9094 59.0727 62.7737 173.9277 10 Q 4.1724 7.7405 120.0236 54.9502 28.9977 174.6779 11 P 4.3100 0.0000 0.0000 61.9752 31.8830 175.0237 12 P 4.4510 0.0000 0.0000 63.1704 32.0067 175.5074 13 T 4.9917 8.2758 111.3729 60.2969 72.8401 172.2587 14 T 5.2868 8.3521 110.8101 59.9935 72.2848 172.9063 15 K 4.7465 8.8244 120.5570 55.7046 36.5307 175.4588 16 T 4.6758 8.4246 117.2735 63.2095 70.1248 175.7617 17 C 4.9978 9.0781 121.3419 53.8268 40.8946 170.8326 18 P 4.3150 0.0000 0.0000 63.7935 31.7118 176.6628 19 G 3.9592 8.9220 109.8931 46.2677 0.0000 172.7946 20 E 4.7601 7.8576 117.6080 54.5234 32.2404 176.0191 21 T 4.4828 8.3999 114.0729 61.8186 69.1800 173.0070 22 N 5.4537 7.8942 117.0715 52.1652 43.0505 173.7575 23 C 5.6413 9.2649 117.7177 55.4113 38.8789 172.8067 24 Y 5.5075 8.7027 118.8921 55.2344 41.8202 174.2727 25 K 4.8826 9.2495 120.9950 54.9210 35.6541 174.8293 26 K 5.2597 9.6504 127.6622 54.6829 35.1603 175.3647 27 V 5.0327 9.1686 125.2400 60.9339 34.5949 174.3164 28 W 5.5445 8.6841 123.3429 55.6735 32.1996 172.9125 29 R 5.0822 8.7967 120.1967 54.7567 32.1946 174.1149 30 D 4.9173 9.0515 124.6485 51.8973 42.7299 175.0619 31 H 4.1036 9.1445 113.5069 59.2416 28.1049 176.7781 32 R 3.9423 7.8644 118.3326 58.0960 30.7186 176.0877 33 G 3.6760 7.4337 105.0206 44.6324 0.0000 171.9351 34 T 4.5567 8.1831 119.4978 63.0277 69.5958 174.5633 35 I 4.2051 8.4636 127.2486 59.2298 40.5187 174.6732 36 I 4.8757 7.9856 125.5171 59.4811 40.4841 173.9642 37 E 5.0543 9.3479 128.3016 54.5240 32.5201 174.8462 38 R 4.8393 7.6753 123.0469 53.4217 35.0313 175.4631 39 G 4.0070 6.5425 106.6572 46.3687 0.0000 172.9212 40 C 4.7023 8.9725 117.2759 57.4565 41.4399 175.3003 41 G 3.6981 9.9785 111.5813 45.4101 0.0000 171.9008 42 C 4.5395 8.2450 119.5396 55.1533 45.4102 172.9836 43 P 4.5100 0.0000 0.0000 61.5617 32.0023 176.1466 44 T 4.1212 7.8922 109.5657 61.0611 69.5115 174.6850 45 V 3.7156 8.0897 123.1279 62.7644 32.5510 175.3296 46 K 4.5941 8.2320 126.5824 53.5415 35.1546 173.5458 47 P 4.4678 0.0000 0.0000 64.1238 31.8401 175.5571 48 G 4.1161 9.1419 109.7700 44.9015 0.0000 173.4173 49 I 4.6337 7.1408 119.4571 59.5074 38.9229 175.4363 50 K 4.4578 8.9835 128.7967 55.1834 33.4946 174.8437 51 L 5.3792 8.6154 129.0143 53.3517 44.9933 174.9879 52 N 5.1507 9.4112 122.6620 51.6869 42.2013 172.5814 53 C 5.7019 9.0247 120.7590 55.2686 42.9231 172.1400 54 C 5.3049 9.3366 117.4187 54.0206 45.2249 174.5350 55 T 4.6528 8.9187 107.1618 60.7839 69.2882 174.0342 56 T 4.6572 7.3620 112.1590 59.2937 71.6287 173.0139 57 D 4.6798 8.6386 121.6955 56.3596 41.0741 176.7518 58 K 3.7882 8.7865 122.7550 57.3685 30.3424 174.1198 59 C 4.5112 7.9677 114.2978 57.4462 42.0907 173.0988 60 N 4.7310 7.8190 117.6389 52.9235 37.7298 174.4276 61 N 4.3700 8.1768 122.5041 55.0353 39.0648 174.1141 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 L 8.04 4.48 0.00 1.80 1.62 0.96 0.67 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 2 E 9.44 4.91 0.00 2.09 1.78 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 2.22 2.38 0.00 3 C 9.67 5.27 0.00 2.79 2.85 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 0.00 0.00 0.00 4 H 9.31 5.43 0.00 3.16 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.79 5.47 0.00 2.64 2.80 0.00 0.00 6.43 7.39 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 6 Q 8.12 4.18 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 7 Q 8.45 4.53 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.84 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 8 S 8.35 3.41 0.00 3.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.59 0.00 3.81 3.84 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 10 Q 7.74 4.17 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 11 P 0.00 4.31 0.00 2.02 1.98 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 12 P 0.00 4.45 0.00 2.02 1.85 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 13 T 8.28 4.99 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 1.21 0.00 0.00 14 T 8.35 5.29 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 1.03 0.00 0.00 15 K 8.82 4.75 0.00 1.79 1.87 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.40 7.81 16 T 8.42 4.68 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 1.29 0.00 0.00 17 C 9.08 5.00 0.00 2.89 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 18 P 0.00 4.31 0.00 2.04 2.01 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 19 G 8.92 3.96 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 0.00 0.00 0.00 20 E 7.86 4.76 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 21 T 8.40 4.48 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 1.22 0.00 0.00 22 N 7.89 5.45 0.00 2.76 2.70 0.00 0.00 6.90 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 23 C 9.26 5.64 0.00 2.83 2.90 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 24 Y 8.70 5.51 0.00 3.08 3.24 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 0.00 25 K 9.25 4.88 0.00 1.80 1.69 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.39 7.81 26 K 9.65 5.26 0.00 2.15 2.18 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.46 1.58 7.81 27 V 9.17 5.03 2.16 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 0.98 0.00 0.00 0.97 0.00 0.00 28 W 8.68 5.54 0.00 3.43 3.24 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 0.00 29 R 8.80 5.08 0.00 1.85 1.86 0.00 3.18 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 1.51 1.56 0.00 30 D 9.05 4.92 0.00 2.98 2.99 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 0.00 0.00 0.00 31 H 9.14 4.10 0.00 3.27 3.54 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.86 3.94 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 33 G 7.43 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 34 T 8.18 4.56 4.14 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 1.10 0.00 0.00 35 I 8.46 4.21 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.62 0.36 0.00 0.00 36 I 7.99 4.88 1.85 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 1.02 0.53 0.89 0.00 0.00 37 E 9.35 5.05 0.00 2.38 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 2.53 2.45 0.00 38 R 7.68 4.84 0.00 1.72 1.69 0.00 3.65 0.00 0.00 3.33 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 39 G 6.54 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.97 4.70 0.00 3.07 3.08 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 41 G 9.98 3.70 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 0.00 42 C 8.25 4.54 0.00 2.94 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 43 P 0.00 4.51 0.00 1.88 1.73 0.00 3.55 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 44 T 7.89 4.12 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 45 V 8.09 3.72 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 46 K 8.23 4.59 0.00 1.70 1.49 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.37 7.81 47 P 0.00 4.47 0.00 2.07 1.96 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 48 G 9.14 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.14 4.63 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 1.00 0.00 0.00 50 K 8.98 4.46 0.00 1.90 1.75 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 51 L 8.62 5.38 0.00 1.67 1.52 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.41 5.15 0.00 2.67 2.69 0.00 0.00 6.56 8.15 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 53 C 9.02 5.70 0.00 2.85 3.01 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 0.00 0.00 0.00 54 C 9.34 5.30 0.00 2.95 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 55 T 8.92 4.65 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 56 T 7.36 4.66 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 1.21 0.00 0.00 57 D 8.64 4.68 0.00 2.67 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 58 K 8.79 3.79 0.00 1.77 1.66 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.29 7.81 59 C 7.97 4.51 0.00 3.08 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 60 N 7.82 4.73 0.00 2.81 2.93 0.00 0.00 6.01 8.04 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 61 N 8.18 4.37 0.00 2.64 2.68 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00