NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5098 8.2893 118.1949 55.0451 32.7214 175.4553 2 T 3.9839 8.3653 111.4389 60.8159 71.0067 174.4205 3 K 3.9532 9.1970 122.0708 59.7031 32.6055 180.8988 4 Q 3.9748 7.9239 117.9123 58.8932 28.5822 178.4188 5 E 3.3916 8.0273 119.6716 58.9439 29.2537 179.2937 6 K 3.9514 8.0909 119.7117 59.7103 32.2681 178.8682 7 T 3.8412 7.9871 115.7894 66.6964 68.3250 176.3670 8 A 4.0707 7.8641 122.0677 55.0464 18.3810 179.4230 9 L 4.0989 8.4192 119.1552 58.5302 42.2599 178.9128 10 N 4.4194 8.5792 116.7479 56.6342 38.3903 177.0998 11 M 4.1763 8.3873 119.3812 58.5628 32.3579 178.1133 12 A 4.0726 8.4944 121.2866 55.0840 18.5598 179.5196 13 R 3.2614 8.3972 117.3506 59.3331 30.0533 178.4741 14 F 4.1480 8.3256 120.3101 61.4950 39.3271 177.1439 15 I 3.4497 8.1146 119.6755 64.1856 36.9883 178.3205 16 R 3.8097 7.9777 119.5673 59.5411 29.8949 178.5817 17 S 4.0198 7.8841 112.8521 61.3678 62.3253 176.1226 18 Q 3.8103 7.9467 121.3541 59.0365 28.0174 178.8470 19 T 3.8218 8.0827 111.1283 64.5235 68.6745 176.4342 20 L 3.7440 7.7664 122.8167 58.1350 42.1193 178.9616 21 T 3.7917 7.8062 115.6977 66.6180 68.3148 176.3199 22 L 3.9212 8.0109 122.2205 57.9024 42.0233 178.6020 23 L 3.8992 8.0476 120.4258 58.2262 42.0165 178.7700 24 E 3.9294 8.2392 118.3771 59.4693 29.2086 179.5691 25 K 3.9778 7.7872 117.0015 59.4978 32.2571 179.1606 26 L 4.1372 8.2276 119.5373 57.8090 41.5123 179.2595 27 N 4.3396 8.5497 116.9008 56.4428 38.2567 177.3396 28 E 4.0548 8.1051 118.8637 59.0297 29.7090 178.6895 29 L 4.0850 7.8440 117.5979 55.1092 42.2006 177.7815 30 A 3.6146 8.4544 123.0517 52.7229 17.6529 180.0962 31 D 4.3603 8.7583 113.6390 58.0880 39.3133 178.6078 32 A 4.0962 7.6607 121.4165 54.0835 18.5482 177.5968 33 A 4.9831 8.3818 118.1924 49.9629 20.4671 178.0435 34 D 4.3358 8.1607 121.6564 58.4429 39.3061 177.9128 35 E 3.9491 8.1208 120.9459 58.6496 29.3087 178.6105 36 Q 3.9823 8.0376 117.5367 58.7679 28.7978 178.2598 37 A 4.0082 8.3840 122.2575 55.2714 18.1124 179.4456 38 D 4.2895 8.2294 117.3581 57.5247 40.8466 179.0661 39 I 3.7219 7.8890 120.3354 64.6277 37.0973 178.1380 40 C 4.1264 8.4568 119.7778 62.0816 31.3048 175.1555 41 E 3.9212 8.4068 121.4072 59.3040 29.1978 178.7701 42 S 4.0782 7.7785 112.8322 61.2091 62.3768 175.7139 43 L 3.9470 8.0207 123.1344 58.5321 41.7423 178.4618 44 H 4.1958 8.5329 119.7751 58.8907 29.8122 176.8919 45 D 4.2673 8.1543 120.7088 57.6887 40.6219 178.3545 46 H 4.2810 8.5647 118.6357 59.0709 29.7758 177.2467 47 A 3.9939 8.3268 123.1199 54.9741 18.0894 179.0970 48 D 4.2847 8.3212 116.9586 57.4263 41.2448 178.0580 49 E 3.8975 8.3311 119.8763 59.1075 29.5438 178.5076 50 L 3.9004 8.0704 120.3293 58.3011 42.1096 178.1866 51 Y 4.1373 8.1764 119.4430 60.9586 38.7409 178.3447 52 R 3.6220 8.2337 119.0462 59.1837 30.1493 179.0225 53 S 3.9457 8.1532 112.9571 61.4544 62.3327 175.9721 54 C 3.2429 8.0097 119.6233 62.4470 27.8917 175.7715 55 L 3.7485 7.6767 121.8879 58.1664 41.3438 178.9687 56 A 3.9578 7.6679 119.5395 54.7490 18.3290 179.2248 57 R 3.9793 7.5388 116.6827 59.1889 30.3063 178.1040 58 F 4.8833 8.1946 116.7396 58.8584 39.2985 176.0280 59 G 3.7897 7.9217 111.6084 45.5357 0.0000 173.3109 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 8.29 4.51 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 2 T 8.37 3.98 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 3 K 9.20 3.95 0.00 1.75 1.87 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.45 7.81 4 Q 7.92 3.97 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 E 8.03 3.39 0.00 1.83 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 1.47 1.82 0.00 6 K 8.09 3.95 0.00 1.92 1.91 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 7 T 7.99 3.84 4.38 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 1.21 0.00 0.00 8 A 7.86 4.07 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 9 L 8.42 4.10 0.00 2.14 1.99 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.58 4.42 0.00 2.94 2.89 0.00 0.00 6.73 8.30 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 11 M 8.39 4.18 0.00 2.19 2.22 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 2.71 2.68 0.00 12 A 8.49 4.07 1.60 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 13 R 8.40 3.26 0.00 1.84 2.11 0.00 3.11 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.00 14 F 8.33 4.15 0.00 3.23 3.25 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 0.00 15 I 8.11 3.45 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.88 0.00 0.00 16 R 7.98 3.81 0.00 1.87 1.90 0.00 3.24 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 17 S 7.88 4.02 0.00 3.84 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 18 Q 7.95 3.81 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.32 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 19 T 8.08 3.82 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 20 L 7.77 3.74 0.00 1.61 1.74 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.81 3.79 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 1.17 0.00 0.00 22 L 8.01 3.92 0.00 1.71 1.62 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.05 3.90 0.00 1.85 1.78 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.24 3.93 0.00 2.20 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 2.30 2.46 0.00 25 K 7.79 3.98 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 26 L 8.23 4.14 0.00 1.66 1.70 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.55 4.34 0.00 2.89 2.85 0.00 0.00 7.03 7.21 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 28 E 8.11 4.05 0.00 2.16 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 0.00 2.34 2.36 0.00 29 L 7.84 4.09 0.00 1.82 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.45 3.61 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 31 D 8.76 4.36 0.00 2.83 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 32 A 7.66 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.98 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 34 D 8.16 4.34 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 35 E 8.12 3.95 0.00 2.05 1.98 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 2.38 2.40 0.00 36 Q 8.04 3.98 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 37 A 8.38 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.29 0.00 2.89 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 39 I 7.89 3.72 1.98 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 1.41 0.72 0.92 0.00 0.00 40 C 8.46 4.13 0.00 3.09 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 41 E 8.41 3.92 0.00 2.21 1.94 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 2.32 2.38 0.00 42 S 7.78 4.08 0.00 3.93 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 43 L 8.02 3.95 0.00 1.90 1.84 0.90 0.80 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 44 H 8.53 4.20 0.00 3.25 3.44 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.15 4.27 0.00 2.93 2.70 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 46 H 8.56 4.28 0.00 3.39 3.21 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.33 3.99 1.35 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 0.00 0.00 0.00 48 D 8.32 4.28 0.00 2.66 2.79 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 49 E 8.33 3.90 0.00 2.09 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 2.30 2.31 0.00 50 L 8.07 3.90 0.00 1.82 1.83 0.92 0.74 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 51 Y 8.18 4.14 0.00 3.09 3.12 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 52 R 8.23 3.62 0.00 1.97 1.89 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 53 S 8.15 3.95 0.00 3.88 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 54 C 8.01 3.24 0.00 2.94 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 55 L 7.68 3.75 0.00 1.18 1.44 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.67 3.96 1.27 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 0.00 0.00 0.00 57 R 7.54 3.98 0.00 1.64 1.50 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 58 F 8.19 4.88 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 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 0.00 0.00 0.00