NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7200 8.4249 118.2251 52.5887 38.8632 174.3905 7 S 4.3085 8.1153 114.6169 58.6850 63.9130 172.2825 8 D 4.9501 8.4224 121.5971 54.7091 42.9111 174.9780 9 F 5.2863 7.9923 114.0361 55.6285 41.5816 173.8788 10 V 4.5255 8.8542 112.0461 59.5107 35.2420 174.9357 11 V 4.8376 8.6660 123.9237 61.3603 33.9532 174.4834 12 I 4.9242 9.0452 128.3137 59.4619 40.6897 174.0600 13 K 5.0213 9.1015 129.1507 54.3116 34.3865 175.0090 14 A 4.4909 8.8985 130.3101 52.1177 19.2183 177.4567 15 L 4.6939 8.9948 122.2329 54.6171 42.5651 175.9557 16 E 4.6860 7.7105 115.6339 54.7104 32.4769 174.4168 17 D 4.4571 8.3511 119.2537 55.6550 41.3374 176.8688 18 G 3.8542 8.4061 109.7467 45.8301 0.0000 173.9288 19 V 3.8113 7.6302 119.4719 63.0069 32.8857 174.2225 20 N 5.1264 9.2839 126.3912 51.8960 41.4454 173.0204 21 V 4.5956 8.6569 127.4371 61.4442 33.5635 174.3557 22 I 4.8511 8.8227 129.6497 59.4676 39.8655 174.8284 23 G 4.2433 9.0056 115.3474 45.1757 0.0000 172.3420 24 L 5.4290 8.8653 125.8826 53.0650 44.0846 176.2708 25 T 4.5484 8.7747 114.5027 61.8366 69.2717 174.2177 26 R 4.4217 7.7919 126.0343 56.2257 29.6717 175.6032 27 G 3.9002 8.8177 109.9615 43.4039 0.0000 174.0254 28 A 4.2387 8.4452 122.0044 54.2769 18.5574 177.6354 29 D 4.9272 7.2526 113.6776 53.0266 42.7645 176.0983 30 T 4.7634 8.2341 118.3522 62.0601 71.2804 173.2374 31 R 4.8381 8.6653 122.1681 54.7962 33.5652 174.0292 32 F 5.1622 8.9241 115.1439 57.0820 38.3529 174.9887 33 H 4.7025 9.0590 116.1225 56.0531 30.6329 173.6475 34 H 4.9862 7.9864 118.0792 54.8562 33.4613 171.7900 35 S 4.9904 8.5265 119.1108 56.4482 64.9238 172.2858 36 E 4.5951 9.2533 129.0852 54.4139 31.2874 174.8512 37 K 4.8379 8.6476 126.7312 55.8187 33.5580 176.2979 38 L 4.9916 8.8903 123.7284 53.1258 45.1763 176.2611 39 D 4.9341 9.4360 123.5560 52.7274 43.0493 175.8817 40 K 4.1272 8.8077 122.1280 58.1503 32.3800 177.1436 41 G 4.0087 9.0738 115.6038 45.1303 0.0000 173.4993 42 E 4.3116 8.0775 119.5509 56.1283 30.9508 175.9296 43 V 4.8711 8.2812 121.8032 61.0272 34.3782 174.1808 44 L 4.7605 9.1252 129.9462 53.2629 44.7148 174.8537 45 I 5.1110 8.5067 126.2579 59.6251 39.3910 174.6590 46 A 4.7279 9.0711 129.3776 50.1090 21.8843 175.4498 47 Q 4.8199 8.6615 121.0525 55.0495 30.4044 175.7262 48 F 4.6336 8.4462 120.1045 57.9405 38.8951 175.2866 49 T 4.6766 8.9248 110.7856 60.3290 71.8354 173.8666 50 E 4.1689 8.9544 121.2503 59.3948 29.6961 177.3325 51 H 4.5970 7.8553 114.4526 56.1161 29.9918 174.2329 52 T 5.2513 8.3236 116.9617 61.8436 70.9859 174.4759 53 S 5.0575 9.0333 119.4793 57.9927 64.8227 173.3734 54 A 5.1247 7.9042 121.2259 51.2457 22.5532 175.2507 55 I 5.0323 8.5540 120.3179 59.3837 40.8902 174.7301 56 K 4.6510 9.2241 127.8826 54.4878 35.1687 174.6193 57 V 4.8058 8.4222 126.1216 61.1710 33.7755 174.5336 58 R 4.5252 9.0736 126.9799 55.5207 32.9445 175.9830 59 G 3.9235 8.9909 108.8007 44.0134 0.0000 172.3015 60 K 4.5737 9.4373 120.5032 55.9144 32.9879 175.5802 61 A 5.1110 8.8484 128.1226 50.9389 23.4267 173.7085 62 Y 4.8477 8.9197 121.3946 56.0524 40.8930 174.5794 63 I 5.0386 8.3116 127.1767 59.5672 40.8394 174.3977 64 Q 5.1174 9.0331 125.5196 54.4140 32.0049 174.8680 65 T 4.7654 8.4788 112.1933 59.7184 72.4271 174.4948 66 R 3.7505 8.5112 120.4163 59.5283 29.9410 176.7308 67 H 4.5767 8.0374 112.9090 55.5145 29.5996 174.0335 68 G 3.7057 7.1618 105.8761 44.0897 0.0000 172.7775 69 V 4.4939 7.9956 119.6910 61.9379 33.0744 176.3860 70 I 4.6269 8.4197 125.3297 59.6245 42.0879 173.1369 71 E 5.1093 8.5353 125.3514 54.5259 32.3733 175.8556 72 S 4.6983 8.7305 119.3342 57.6415 65.4035 172.9647 73 E 4.9081 8.4855 119.6521 54.6014 32.9366 176.1285 74 G 3.8928 8.6818 112.5446 44.1802 0.0000 173.8000 75 K 4.0434 8.5317 117.4671 56.8370 32.0210 177.2595 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 6 N 8.42 4.72 0.00 2.87 3.01 0.00 0.00 6.10 6.76 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 7 S 8.12 4.31 0.00 4.18 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 8 D 8.42 4.95 0.00 2.83 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 9 F 7.99 5.29 0.00 3.09 2.97 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 0.00 0.00 0.00 10 V 8.85 4.53 2.02 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 0.60 0.00 0.00 0.86 0.00 0.00 11 V 8.67 4.84 2.25 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 1.13 0.00 0.00 1.16 0.00 0.00 12 I 9.05 4.92 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 0.93 0.00 0.00 13 K 9.10 5.02 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.90 4.49 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 15 L 8.99 4.69 0.00 1.65 1.72 0.98 0.72 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 16 E 7.71 4.69 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 17 D 8.35 4.46 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 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 0.00 0.00 0.00 19 V 7.63 3.81 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 1.02 0.00 0.00 1.00 0.00 0.00 20 N 9.28 5.13 0.00 2.72 2.57 0.00 0.00 6.53 7.25 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 21 V 8.66 4.60 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 0.89 0.00 0.00 0.93 0.00 0.00 22 I 8.82 4.85 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 0.86 0.00 0.00 23 G 9.01 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 0.00 0.00 0.00 0.00 24 L 8.87 5.43 0.00 1.69 1.67 0.98 0.84 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 25 T 8.77 4.55 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 1.32 0.00 0.00 26 R 7.79 4.42 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.82 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 28 A 8.45 4.24 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 29 D 7.25 4.93 0.00 2.69 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 30 T 8.23 4.76 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 1.26 0.00 0.00 31 R 8.67 4.84 0.00 1.89 2.01 0.00 2.68 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 32 F 8.92 5.16 0.00 3.14 3.05 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 33 H 9.06 4.70 0.00 3.07 3.42 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.99 4.99 0.00 3.30 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.53 4.99 0.00 3.67 3.72 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 36 E 9.25 4.60 0.00 2.17 1.82 0.00 0.00 0.00 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 2.32 0.00 37 K 8.65 4.84 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.43 7.81 38 L 8.89 4.99 0.00 1.52 1.52 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.44 4.93 0.00 2.74 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 K 8.81 4.13 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.07 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 42 E 8.08 4.31 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 43 V 8.28 4.87 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 0.82 0.00 0.00 0.95 0.00 0.00 44 L 9.13 4.76 0.00 1.75 1.48 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.51 5.11 1.81 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 1.33 0.82 0.83 0.00 0.00 46 A 9.07 4.73 1.14 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 0.00 0.00 47 Q 8.66 4.82 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.45 4.63 0.00 3.06 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 49 T 8.92 4.68 4.31 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 1.31 0.00 0.00 50 E 8.95 4.17 0.00 1.93 2.04 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 1.97 2.25 0.00 51 H 7.86 4.60 0.00 3.40 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.32 5.25 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 1.36 0.00 0.00 53 S 9.03 5.06 0.00 3.88 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 54 A 7.90 5.12 1.30 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 0.00 0.00 0.00 55 I 8.55 5.03 1.87 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.87 0.00 0.00 56 K 9.22 4.65 0.00 1.79 1.60 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.34 7.81 57 V 8.42 4.81 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 0.87 0.00 0.00 0.92 0.00 0.00 58 R 9.07 4.53 0.00 1.72 1.74 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 59 G 8.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.44 4.57 0.00 1.88 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 A 8.85 5.11 1.24 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 0.00 0.00 62 Y 8.92 4.85 0.00 3.08 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 5.04 1.92 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 1.21 0.69 0.86 0.00 0.00 64 Q 9.03 5.12 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 65 T 8.48 4.77 4.11 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 1.16 0.00 0.00 66 R 8.51 3.75 0.00 1.60 1.79 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 67 H 8.04 4.58 0.00 3.16 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.16 3.71 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 0.00 0.00 0.00 69 V 8.00 4.49 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 0.19 0.00 0.00 0.87 0.00 0.00 70 I 8.42 4.63 1.80 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 1.19 1.33 0.84 0.00 0.00 71 E 8.54 5.11 0.00 1.82 1.81 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 2.22 2.15 0.00 72 S 8.73 4.70 0.00 3.95 3.97 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 0.00 0.00 0.00 73 E 8.49 4.91 0.00 1.81 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 0.00 2.21 2.28 0.00 74 G 8.68 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.53 4.04 0.00 1.72 1.75 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.50 7.81