NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8464 8.3544 109.7366 45.8573 0.0000 172.5676 2 S 4.3937 7.7024 114.4349 55.5246 63.5187 173.5110 3 S 4.3492 8.7755 121.2098 57.3454 64.7748 173.8887 4 G 4.0765 8.5699 112.5803 43.5581 0.0000 172.0620 5 S 4.5061 8.6078 118.5291 56.4598 64.3354 173.7194 6 S 4.5548 9.8520 123.4416 57.7452 62.6297 171.5104 7 G 3.9048 10.2584 121.3740 43.7327 0.0000 172.2942 8 M 2.9658 8.7170 117.4522 54.7647 30.3661 174.0899 9 C 4.7045 7.0813 113.6816 56.2405 33.5076 171.5975 10 G 3.9769 7.1293 117.8225 45.0555 0.0000 172.9444 11 V 3.6971 7.5933 119.4215 64.8220 32.4156 177.3462 12 E 3.8621 8.0495 117.6211 59.6005 29.4264 178.9522 13 L 3.7823 7.8964 119.3656 58.4823 41.8986 178.1868 14 D 4.3212 7.6247 116.0452 57.6297 41.0660 177.9048 15 S 4.0695 8.1974 113.5802 61.9727 62.2857 175.7093 16 L 3.9567 8.2261 121.0546 58.8648 41.4475 179.2330 17 I 3.5740 8.0947 117.7837 64.9890 36.6364 178.1104 18 S 4.0962 8.6563 115.3148 62.2289 63.1557 176.5258 19 Q 3.9448 8.6399 121.9630 59.6947 28.5622 179.1425 20 V 3.6465 8.0381 118.4000 65.8925 31.4911 177.5588 21 K 4.3526 8.2595 119.5943 59.3873 32.0426 177.5713 22 D 4.5297 8.9959 117.8132 57.5804 40.7926 178.8357 23 L 4.4156 7.2870 116.6952 55.5079 43.5400 177.1712 24 L 4.8214 8.5086 119.5151 52.2628 41.8255 175.1777 25 P 4.3396 0.0000 0.0000 65.3316 32.4631 178.4622 26 D 4.5310 8.4031 118.2223 57.2789 40.7654 177.4420 27 L 4.1816 7.7249 116.5404 54.5136 42.4767 176.9002 28 G 3.9878 8.7678 110.6626 44.7824 0.0000 174.5895 29 E 4.0886 9.2793 123.3025 59.6406 29.5603 180.0159 30 G 4.2734 8.1925 106.8030 47.5931 0.0000 175.3105 31 F 4.2635 8.1875 122.3310 60.6747 39.5101 177.4112 32 I 3.7902 8.0852 119.8345 63.8857 36.8556 178.2054 33 L 3.9036 9.1812 121.8995 58.0714 42.0283 178.3868 34 A 3.8772 7.7042 120.5795 55.9644 18.1716 178.7904 35 C 3.6076 7.7422 114.2818 63.1237 28.1196 176.2303 36 L 4.0856 8.0669 119.6676 58.3393 41.1991 179.3877 37 E 2.7785 8.1751 117.3737 59.7001 29.5922 179.1189 38 Y 3.7547 7.9889 117.5836 59.4038 39.5521 176.0717 39 Y 4.8493 8.4335 119.4878 59.5411 38.1353 175.2059 40 H 4.0869 8.9815 110.2483 58.2914 27.3109 174.6900 41 Y 3.6801 7.9818 111.9135 59.3608 36.2028 171.8828 42 D 5.0432 8.4600 118.3537 51.6931 44.5887 173.5000 43 P 4.2451 0.0000 0.0000 66.0467 31.5611 178.2948 44 E 3.8853 8.1546 118.4242 59.3290 29.1528 178.7763 45 Q 4.1728 7.8148 116.6563 59.4341 28.7978 179.0667 46 V 2.7733 7.1150 117.8513 66.4323 30.9910 177.9452 47 I 3.5839 7.9056 118.5869 64.6457 37.0949 177.8627 48 N 4.2551 8.9379 117.9512 56.8543 38.3804 176.7268 49 N 4.5406 8.8854 118.1704 56.4616 38.6696 177.0798 50 I 3.7860 8.1878 121.0579 64.8465 37.1512 178.2953 51 L 4.0603 8.8419 118.4611 57.7429 41.5020 178.6108 52 E 4.4150 8.6957 116.8553 55.2432 29.6236 176.0245 53 E 3.9478 8.1520 116.9381 57.5646 27.7778 175.6591 54 R 4.4687 8.4211 115.8244 55.9213 30.1771 176.8017 55 L 3.9516 7.9660 118.4135 54.9325 42.0932 177.1448 56 A 4.0596 7.6817 123.8131 51.6988 18.7194 176.3374 57 P 4.5804 0.0000 0.0000 64.7417 31.8288 177.5192 58 T 4.2541 7.6301 114.7019 65.0017 69.6398 176.3389 59 L 4.2504 7.5457 120.8395 57.1326 42.1006 178.6424 60 S 4.2965 8.4149 111.9689 61.0321 62.1978 175.5225 61 Q 4.2799 7.9338 118.7302 57.2294 29.3280 175.9880 62 L 3.9726 7.0982 119.5689 54.3170 42.4623 176.4660 63 D 4.4084 8.5935 118.8962 54.2840 40.7838 176.7883 64 R 2.9440 8.5693 127.6661 58.4307 30.3868 176.9980 65 N 5.3135 7.5910 114.7057 52.0112 36.9283 175.1559 66 L 4.2201 8.3965 121.9434 56.3078 43.7577 175.9324 67 D 5.1805 8.6942 124.9553 53.1201 44.2222 174.5220 68 R 4.6227 7.8426 119.1863 54.2847 31.4079 176.6288 69 E 3.9503 8.8993 124.4401 57.0542 29.6224 175.0923 70 M 3.1642 8.5108 128.3220 54.7202 31.8439 176.7916 71 N 4.0514 8.4007 115.9516 54.4415 39.7431 174.7874 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 3.85 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 2 S 7.70 4.39 0.00 3.86 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 3 S 8.78 4.35 0.00 4.02 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 4 G 8.57 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 0.00 0.00 0.00 5 S 8.61 4.51 0.00 3.79 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 6 S 9.85 4.55 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 10.26 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 8 M 8.72 2.97 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 9 C 7.08 4.70 0.00 2.82 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 10 G 7.13 3.98 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 0.00 0.00 0.00 11 V 7.59 3.70 2.06 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 1.10 0.00 0.00 0.92 0.00 0.00 12 E 8.05 3.86 0.00 1.98 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 2.39 2.38 0.00 13 L 7.90 3.78 0.00 1.54 1.64 0.68 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.62 4.32 0.00 2.92 2.88 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 0.00 0.00 0.00 15 S 8.20 4.07 0.00 3.89 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 16 L 8.23 3.96 0.00 1.96 1.79 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.09 3.57 2.08 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 1.60 0.94 1.05 0.00 0.00 18 S 8.66 4.10 0.00 4.03 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 19 Q 8.64 3.94 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 20 V 8.04 3.65 2.23 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 1.06 0.00 0.00 1.02 0.00 0.00 21 K 8.26 4.35 0.00 1.87 1.99 0.00 1.78 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.57 7.81 22 D 9.00 4.53 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 4.42 0.00 1.89 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.51 4.82 0.00 1.62 1.59 0.97 0.94 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 25 P 0.00 4.34 0.00 2.18 2.19 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 26 D 8.40 4.53 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.72 4.18 0.00 1.70 1.70 1.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.77 3.99 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 0.00 0.00 0.00 29 E 9.28 4.09 0.00 2.06 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 0.00 2.46 2.45 0.00 30 G 8.19 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 0.00 0.00 0.00 0.00 31 F 8.19 4.26 0.00 3.38 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 32 I 8.09 3.79 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.97 0.00 0.00 33 L 9.18 3.90 0.00 1.54 1.90 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.70 3.88 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 35 C 7.74 3.61 0.00 3.01 3.17 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 0.00 36 L 8.07 4.09 0.00 2.01 1.88 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.18 2.78 0.00 1.93 1.76 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 1.63 2.35 0.00 38 Y 7.99 3.75 0.00 2.72 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 39 Y 8.43 4.85 0.00 3.20 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 40 H 8.98 4.09 0.00 3.26 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.98 3.68 0.00 3.08 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 42 D 8.46 5.04 0.00 3.10 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 4.25 0.00 2.31 2.30 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 44 E 8.15 3.89 0.00 2.22 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 0.00 2.39 2.46 0.00 45 Q 7.81 4.17 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 46 V 7.11 2.77 2.12 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 0.99 0.00 0.00 1.01 0.00 0.00 47 I 7.91 3.58 1.93 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 1.51 0.72 0.89 0.00 0.00 48 N 8.94 4.26 0.00 2.67 2.83 0.00 0.00 7.14 6.77 0.00 0.00 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 N 8.89 4.54 0.00 2.55 2.92 0.00 0.00 6.85 7.22 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 50 I 8.19 3.79 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.72 0.95 0.00 0.00 51 L 8.84 4.06 0.00 1.87 1.73 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.70 4.42 0.00 1.88 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 2.29 2.54 0.00 53 E 8.15 3.95 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 54 R 8.42 4.47 0.00 1.80 1.99 0.00 3.20 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 55 L 7.97 3.95 0.00 1.69 1.71 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.68 4.06 0.75 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 0.00 0.00 57 P 0.00 4.58 0.00 2.19 2.18 0.00 3.71 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 1.99 1.98 0.00 58 T 7.63 4.25 4.19 0.00 0.00 0.00 0.00 0.00 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 59 L 7.55 4.25 0.00 1.50 1.42 0.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.41 4.30 0.00 4.18 3.93 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 61 Q 7.93 4.28 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 62 L 7.10 3.97 0.00 2.09 1.90 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.59 4.41 0.00 2.71 2.71 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 64 R 8.57 2.94 0.00 1.69 1.61 0.00 2.85 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 65 N 7.59 5.31 0.00 2.67 2.80 0.00 0.00 5.98 7.78 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 66 L 8.40 4.22 0.00 2.12 1.72 0.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.69 5.18 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.62 0.00 1.80 1.87 0.00 3.43 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 69 E 8.90 3.95 0.00 1.97 1.93 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 2.33 2.29 0.00 70 M 8.51 3.16 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 71 N 8.40 4.05 0.00 2.68 2.67 0.00 0.00 6.82 7.59 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