NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7869 8.3544 109.7357 45.4135 0.0000 172.4567 2 S 3.9729 8.3187 120.0316 56.8637 61.2555 171.7802 3 S 4.4598 8.1117 122.8037 56.4182 63.1468 173.0209 4 G 3.9247 7.9215 111.4398 45.1338 0.0000 171.2679 5 S 4.5848 8.2701 122.2459 56.9623 64.4772 175.1291 6 S 4.0899 8.7739 118.9597 61.7945 62.8739 176.5711 7 G 3.8209 7.9044 107.2229 44.7888 0.0000 171.8027 8 C 4.7093 7.8475 113.8584 58.2203 29.8040 174.0714 9 V 3.8781 7.0689 110.5463 61.4658 31.5017 176.8414 10 K 3.8048 6.3997 121.6476 57.5564 32.4851 176.6821 11 C 4.1590 7.5191 117.1528 58.0362 31.1608 173.0668 12 N 4.7943 7.7222 115.7631 54.2255 35.2408 174.2144 13 K 4.5512 7.2909 115.9042 53.8804 36.0261 176.2413 14 A 4.2463 8.5828 125.0539 52.8324 18.7821 176.8490 15 I 4.0933 8.0249 121.7268 59.9223 38.3856 176.2436 16 T 4.1321 8.1249 119.9115 61.8395 67.9931 172.9196 17 S 4.6038 8.3126 115.3833 58.5183 63.3869 174.1746 18 G 4.2053 7.5710 103.6569 45.8791 0.0000 174.9330 19 G 4.3160 8.1233 113.4338 45.6043 0.0000 174.3051 20 I 4.8146 8.4029 116.2979 59.8197 41.5150 174.4735 21 T 5.1545 8.4382 119.9101 62.0457 71.3451 172.7506 22 Y 4.4123 9.1190 127.2643 56.8574 41.3798 174.9829 23 Q 3.2009 8.6015 125.7251 57.4886 27.5995 172.7896 24 D 4.5371 8.2356 109.1935 55.2789 38.8756 174.0256 25 Q 4.6958 8.4646 116.6937 53.1227 32.7963 172.9897 26 P 4.7513 0.0000 0.0000 62.9048 32.3228 175.2511 27 W 5.2352 9.3703 123.6549 55.1441 33.9764 173.8907 28 H 5.0773 8.8167 117.2861 53.8920 31.2711 175.6373 29 A 4.0451 8.7582 122.7337 55.0014 18.4922 178.4882 30 D 4.6079 8.0544 113.9474 56.2897 42.1536 177.1163 31 C 4.3860 8.0315 116.1224 61.7526 28.3433 173.7180 32 F 4.6678 8.5722 122.0907 58.4320 39.0576 175.0004 33 V 4.8668 7.3068 110.6579 57.8566 33.3511 175.9182 34 C 3.9812 8.1703 117.0484 59.0614 29.5954 174.1020 35 V 4.0313 7.3250 113.4356 62.4693 30.7528 177.2383 36 T 4.4697 7.0356 114.2369 63.5860 71.4809 174.3243 37 C 4.3318 7.9950 119.3097 57.7216 31.4622 173.6058 38 S 3.8870 7.6580 114.6444 58.7242 59.6757 171.4736 39 K 4.3491 7.2603 121.0023 54.5293 33.8840 175.5309 40 K 4.0396 8.3635 123.7599 56.7176 31.3179 176.8463 41 L 4.0839 8.1279 125.5896 56.9109 41.9029 178.1509 42 A 4.3433 8.2218 120.6651 54.1896 18.6093 175.8633 43 G 4.3634 9.3085 113.5081 45.8329 0.0000 173.9171 44 Q 4.3331 7.6534 117.5013 54.7882 29.7742 175.0543 45 R 4.5086 8.3738 115.7440 55.4315 30.7864 175.6434 46 F 5.0517 8.2122 117.9050 55.1445 42.1437 173.9101 47 T 4.4073 8.7466 114.5653 61.5619 71.4344 173.3846 48 A 4.3645 8.7971 128.9564 50.9800 19.3293 176.4327 49 V 4.2512 8.0935 122.6429 61.3866 33.4863 176.8130 50 E 3.6901 8.7699 126.3025 59.8833 28.9647 178.2197 51 D 4.4627 7.3943 117.7273 55.9969 41.7071 177.4241 52 Q 4.4500 8.1423 115.5014 55.3178 34.5399 172.2022 53 Y 4.9800 8.3693 116.6225 57.2172 40.0876 174.8278 54 Y 5.0219 8.7087 120.8194 55.9722 42.0078 175.2490 55 C 4.6376 8.8760 118.8045 57.5677 30.9255 174.7692 56 V 3.8799 8.0545 120.9523 65.4049 30.3336 178.4015 57 D 4.3142 8.1016 117.9095 57.5568 41.2913 177.8825 58 C 4.1879 8.1199 116.6172 63.0808 28.4179 174.7366 59 Y 3.9783 8.6018 121.3897 61.0301 38.2801 178.0416 60 K 3.8783 8.2470 119.5137 59.9960 32.0345 178.1730 61 N 4.3359 7.5339 115.3428 56.4832 38.9132 176.4653 62 F 4.0022 8.3875 121.9522 61.2480 39.6780 177.4511 63 V 3.8453 8.1348 118.0225 63.2607 32.3136 176.1131 64 S 4.5231 7.9205 113.3696 55.6623 62.0048 172.5641 65 G 4.2218 7.6064 111.1813 42.1619 0.0000 168.7903 66 P 4.3146 0.0000 0.0000 65.1080 31.6551 177.1397 67 S 4.4838 7.4729 111.7794 56.6440 65.3795 173.4518 68 S 4.2562 8.8148 124.2044 60.7709 63.2732 174.4297 69 G 3.7049 7.6271 111.8385 45.9082 0.0000 172.3118 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 G 8.35 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 2 S 8.32 3.97 0.00 3.92 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 3 S 8.11 4.46 0.00 3.82 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 4 G 7.92 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 5 S 8.27 4.58 0.00 3.86 3.78 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 0.00 0.00 0.00 6 S 8.77 4.09 0.00 3.83 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 7 G 7.90 3.82 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 0.00 0.00 0.00 8 C 7.85 4.71 0.00 2.78 2.76 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 0.00 0.00 0.00 9 V 7.07 3.88 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 0.56 0.00 0.00 0.07 0.00 0.00 10 K 6.40 3.80 0.00 1.04 1.31 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.36 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.37 1.37 7.81 11 C 7.52 4.16 0.00 3.06 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 12 N 7.72 4.79 0.00 2.83 2.87 0.00 0.00 6.99 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 13 K 7.29 4.55 0.00 1.78 1.67 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.32 7.81 14 A 8.58 4.25 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 15 I 8.02 4.09 1.88 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 1.43 0.69 0.89 0.00 0.00 16 T 8.12 4.13 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 1.19 0.00 0.00 17 S 8.31 4.60 0.00 4.01 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 18 G 7.57 4.21 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 0.00 19 G 8.12 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 4.81 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.87 0.00 0.00 21 T 8.44 5.15 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 1.29 0.00 0.00 22 Y 9.12 4.41 0.00 2.36 2.21 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 23 Q 8.60 3.20 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 24 D 8.24 4.54 0.00 2.89 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 25 Q 8.46 4.70 0.00 2.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.05 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 26 P 0.00 4.75 0.00 2.07 2.20 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 27 W 9.37 5.24 0.00 3.25 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.82 5.08 0.00 3.10 3.19 0.00 5.64 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 29 A 8.76 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.61 0.00 2.68 2.74 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 31 C 8.03 4.39 0.00 3.16 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 32 F 8.57 4.67 0.00 3.18 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 33 V 7.31 4.87 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 1.00 0.00 0.00 0.95 0.00 0.00 34 C 8.17 3.98 0.00 3.02 3.02 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 35 V 7.32 4.03 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 0.76 0.00 0.00 0.47 0.00 0.00 36 T 7.04 4.47 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 37 C 8.00 4.33 0.00 3.09 3.07 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 38 S 7.66 3.89 0.00 4.03 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 0.00 39 K 7.26 4.35 0.00 1.78 1.64 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 40 K 8.36 4.04 0.00 1.81 1.83 0.00 1.85 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 L 8.13 4.08 0.00 0.89 1.19 -0.04 0.81 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 42 A 8.22 4.34 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 43 G 9.31 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.65 4.33 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 45 R 8.37 4.51 0.00 1.82 2.04 0.00 2.89 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 46 F 8.21 5.05 0.00 2.88 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 47 T 8.75 4.41 3.59 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 0.78 0.00 0.00 48 A 8.80 4.36 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 49 V 8.09 4.25 2.29 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 0.88 0.00 0.00 0.95 0.00 0.00 50 E 8.77 3.69 0.00 1.99 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 2.31 2.33 0.00 51 D 7.39 4.46 0.00 2.72 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 52 Q 8.14 4.45 0.00 1.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 53 Y 8.37 4.98 0.00 2.40 2.37 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 54 Y 8.71 5.02 0.00 3.06 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 55 C 8.88 4.64 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.88 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 0.83 0.00 0.00 0.99 0.00 0.00 57 D 8.10 4.31 0.00 2.86 2.76 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 0.00 0.00 0.00 58 C 8.12 4.19 0.00 3.26 3.20 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 0.00 59 Y 8.60 3.98 0.00 3.15 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 60 K 8.25 3.88 0.00 2.12 1.90 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.55 7.81 61 N 7.53 4.34 0.00 2.88 3.06 0.00 0.00 7.30 6.94 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 62 F 8.39 4.00 0.00 2.83 2.84 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 63 V 8.13 3.85 1.63 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 0.73 0.00 0.00 0.89 0.00 0.00 64 S 7.92 4.52 0.00 3.79 3.87 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 65 G 7.61 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.31 0.00 2.15 2.16 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 67 S 7.47 4.48 0.00 3.75 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 68 S 8.81 4.26 0.00 3.75 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 69 G 7.63 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