NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3802 8.3044 118.1956 54.6220 32.4872 174.7497 2 E 4.0047 8.5692 121.6846 56.4578 30.5571 174.3941 3 Q 4.7056 8.2482 118.3320 56.0104 30.5419 175.8049 4 R 5.1140 7.9950 117.5475 55.0574 28.9684 175.9539 5 I 4.4709 8.4407 129.2245 61.5271 39.2654 175.1222 6 T 4.2371 8.3866 113.5278 60.6253 70.0863 175.6227 7 L 3.9102 7.6813 124.4810 58.1938 41.8711 179.7166 8 K 3.9216 7.8664 119.0695 59.5696 32.3404 178.2274 9 D 4.3402 7.5767 118.7522 57.7411 40.7584 178.1546 10 Y 4.2486 8.4845 119.7861 60.7432 38.7832 178.2067 11 A 4.5631 8.1619 122.8947 55.3012 18.4306 179.6382 12 M 4.1383 8.3094 115.7399 58.3507 32.0538 178.0717 13 R 3.8862 8.3378 119.4884 58.5330 30.2910 177.3040 14 F 4.0730 8.2719 120.0346 59.2017 39.6095 175.2910 15 G 4.0666 7.6232 105.7820 44.1594 0.0000 174.5117 16 Q 4.2225 8.6895 117.3799 58.1188 28.9854 178.8623 17 T 3.9567 7.7684 116.5379 66.4117 68.9376 176.7225 18 K 4.0124 8.1099 121.0050 59.7149 32.0730 178.8656 19 T 3.9145 7.9862 115.3365 66.7073 68.6943 176.6215 20 A 3.9958 7.9004 121.9400 54.8191 18.0291 179.9871 21 K 3.9291 8.1350 117.2934 59.8834 32.2545 179.3632 22 D 4.4836 8.0178 118.7410 57.1587 40.4515 178.7116 23 L 4.7143 7.5867 120.6024 54.7225 41.7414 177.7854 24 G 3.8349 7.7602 104.5602 46.0926 0.0000 173.0218 25 V 4.4651 7.6038 112.7153 59.1787 34.9010 174.8535 26 Q 4.5370 7.9503 118.4415 54.7036 30.3243 177.3454 27 Q 3.9673 8.4685 120.1797 58.8455 28.4952 179.5474 28 S 3.9809 7.8452 116.0072 61.4341 62.9165 176.2552 29 A 3.5353 7.5466 123.2643 54.6670 17.9593 179.7463 30 I 3.0949 6.8272 117.8195 64.4025 37.2571 177.9725 31 N 4.2076 7.7613 117.6121 56.5922 38.2583 177.0331 32 K 4.1056 7.6230 119.8779 58.7367 32.0193 179.5394 33 W 4.4976 7.9222 119.7319 59.9493 29.1148 178.4623 34 I 3.9610 7.8496 118.8620 64.0346 36.4583 178.0800 35 H 4.4043 8.3572 116.4574 57.7234 28.5282 176.4982 36 A 4.6766 7.5596 118.6568 50.4391 20.1383 176.2751 37 G 3.7430 7.7803 105.1129 46.8553 0.0000 175.4093 38 R 4.0927 8.6818 119.5227 55.1427 30.8299 176.5656 39 K 3.9983 8.5802 129.0248 56.9579 32.8063 175.8092 40 I 4.6863 7.7280 126.6434 60.1376 42.4380 174.1857 41 F 5.4987 9.1727 122.1775 55.4855 43.0240 173.5889 42 L 4.7714 8.5311 124.8179 54.7025 42.5394 175.4643 43 T 5.2671 7.5739 119.7939 61.2809 70.6493 173.7024 44 I 4.4617 8.0777 126.5210 60.4547 38.4006 175.8242 45 N 4.6836 8.7434 124.7556 52.3457 39.8413 174.8069 46 A 4.4716 8.4255 120.0934 52.5779 18.9437 177.4464 47 D 4.6689 7.7591 115.4528 52.8512 40.9295 177.1324 48 G 4.0384 8.2468 106.5631 45.2846 0.0000 173.3688 49 S 4.9101 7.8015 116.2799 56.5331 65.8753 173.2329 50 V 5.1068 8.1765 119.3809 61.7615 35.0363 172.4258 51 Y 5.0495 7.8256 124.6996 54.9709 41.0671 174.1438 52 A 4.4850 8.7807 125.6055 51.5719 19.5035 176.2138 53 E 4.5575 9.5803 123.8472 55.3208 31.4470 175.0386 54 E 4.8084 8.6127 125.1196 54.4798 31.3428 175.7643 55 V 3.9891 8.3504 125.5055 62.6397 32.5705 176.0382 56 K 4.5333 8.0116 123.6099 53.3149 32.1596 175.9987 57 P 4.5147 0.0000 0.0000 62.0860 31.7358 174.5715 58 D 4.5712 8.4985 119.4417 53.6972 41.7127 176.6019 59 P 4.5601 0.0000 0.0000 62.9006 29.3209 175.6838 60 S 4.3664 8.2410 120.1483 60.3842 64.2638 174.8590 61 N 4.9691 7.7908 118.3783 50.9286 40.9231 173.6831 62 K 4.5988 8.2973 116.9365 56.2809 33.2635 175.8499 63 K 4.5004 7.9998 119.5878 55.9255 34.1897 175.5176 64 T 4.5913 8.1331 117.7154 62.5453 71.7119 172.5180 65 T 4.3920 8.4836 114.0580 62.1435 70.8779 173.9211 66 A 4.1408 7.6925 128.8456 51.8986 18.9518 175.7685 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 M 8.30 4.38 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 E 8.57 4.00 0.00 1.99 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 2.27 2.45 0.00 3 Q 8.25 4.71 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 4 R 8.00 5.11 0.00 1.84 1.94 0.00 2.96 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 5 I 8.44 4.47 2.16 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 1.11 0.00 0.00 6 T 8.39 4.24 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 0.93 0.00 0.00 7 L 7.68 3.91 0.00 1.81 1.68 1.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.87 3.92 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 9 D 7.58 4.34 0.00 2.77 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 10 Y 8.48 4.25 0.00 3.24 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 11 A 8.16 4.56 1.51 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 0.00 0.00 12 M 8.31 4.14 0.00 1.95 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 13 R 8.34 3.89 0.00 1.63 1.37 0.00 3.00 0.00 0.00 2.80 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 14 F 8.27 4.07 0.00 2.92 2.94 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 15 G 7.62 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.69 4.22 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 17 T 7.77 3.96 4.27 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 0.00 0.00 0.00 1.22 0.00 0.00 18 K 8.11 4.01 0.00 1.91 1.97 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.61 7.81 19 T 7.99 3.91 4.35 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 1.11 0.00 0.00 20 A 7.90 4.00 1.37 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 0.00 0.00 21 K 8.13 3.93 0.00 2.10 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.69 7.81 22 D 8.02 4.48 0.00 2.87 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 23 L 7.59 4.71 0.00 1.76 1.80 0.84 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.76 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.60 4.47 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 0.91 0.00 0.00 0.98 0.00 0.00 26 Q 7.95 4.54 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 27 Q 8.47 3.97 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 28 S 7.85 3.98 0.00 3.75 3.79 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 29 A 7.55 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 6.83 3.09 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.96 0.00 0.00 31 N 7.76 4.21 0.00 2.80 2.63 0.00 0.00 7.21 6.17 0.00 0.00 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 K 7.62 4.11 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.55 7.81 33 W 7.92 4.50 0.00 3.60 3.10 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 34 I 7.85 3.96 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.25 0.96 0.00 0.00 35 H 8.36 4.40 0.00 3.25 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.56 4.68 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 37 G 7.78 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 0.00 0.00 0.00 38 R 8.68 4.09 0.00 2.06 1.76 0.00 2.93 0.00 0.00 2.88 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 39 K 8.58 4.00 0.00 1.80 1.75 0.00 1.90 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.47 7.81 40 I 7.73 4.69 1.59 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 1.05 0.55 0.69 0.00 0.00 41 F 9.17 5.50 0.00 2.95 2.87 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 42 L 8.53 4.77 0.00 1.36 1.57 -0.58 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.57 5.27 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 1.17 0.00 0.00 44 I 8.08 4.46 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.88 0.00 0.00 45 N 8.74 4.68 0.00 2.81 2.99 0.00 0.00 7.17 7.18 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 46 A 8.43 4.47 1.28 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 47 D 7.76 4.67 0.00 2.79 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 48 G 8.25 4.04 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 0.00 0.00 0.00 49 S 7.80 4.91 0.00 3.95 3.85 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 50 V 8.18 5.11 1.84 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 0.75 0.00 0.00 0.81 0.00 0.00 51 Y 7.83 5.05 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.48 1.12 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 53 E 9.58 4.56 0.00 2.22 1.96 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 2.39 2.62 0.00 54 E 8.61 4.81 0.00 1.88 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 2.15 2.16 0.00 55 V 8.35 3.99 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 0.95 0.00 0.00 1.05 0.00 0.00 56 K 8.01 4.53 0.00 1.73 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.40 7.81 57 P 0.00 4.51 0.00 2.04 2.05 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 2.03 2.09 0.00 58 D 8.50 4.57 0.00 2.63 2.57 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 59 P 0.00 4.56 0.00 2.22 2.08 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 60 S 8.24 4.37 0.00 3.99 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 61 N 7.79 4.97 0.00 2.66 2.74 0.00 0.00 6.72 6.69 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 62 K 8.30 4.60 0.00 1.82 1.80 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.45 7.81 63 K 8.00 4.50 0.00 1.70 1.74 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 64 T 8.13 4.59 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 65 T 8.48 4.39 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 66 A 7.69 4.14 1.23 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 0.00 0.00