NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9277 8.3549 109.7361 45.7669 0.0000 172.7523 2 S 4.4123 8.1323 120.6005 55.6307 66.9933 171.6859 3 S 4.7775 8.3157 114.7840 56.5060 66.9348 174.0776 4 G 3.8714 8.4182 109.5405 45.9234 0.0000 172.3539 5 S 4.7652 7.3879 111.3332 55.5523 66.2307 173.0635 6 S 4.2782 8.4574 118.7730 57.9846 62.9947 172.7942 7 G 4.1527 8.1818 116.5748 45.8733 0.0000 174.2279 8 K 3.9747 8.1124 122.9188 58.6082 33.1966 177.4865 9 K 4.1644 7.6994 117.4474 56.9295 32.7280 176.1664 10 T 4.4016 8.0124 118.3103 62.6809 71.3695 173.3027 11 E 4.5496 8.6248 126.8075 54.8807 30.7861 176.5949 12 W 5.2099 8.6868 122.6261 55.5666 30.5378 175.7299 13 S 4.8785 8.3235 112.4865 55.7255 66.2687 174.2805 14 R 3.9551 8.7021 125.3456 59.9429 29.7629 178.3503 15 E 3.9919 8.1995 117.3558 59.7110 29.6401 178.9481 16 E 4.1115 8.3416 117.9554 59.8955 29.4619 178.9009 17 E 4.2634 9.0932 119.2182 58.9405 29.4748 178.8814 18 E 3.9876 8.7964 118.9173 59.7449 29.6846 180.1541 19 K 4.0620 8.1677 118.2615 59.7632 32.5066 178.8218 20 L 4.0708 8.5089 121.9198 58.2416 42.0266 178.8756 21 L 4.1995 8.1581 118.3643 58.1752 41.4605 178.9395 22 H 4.1778 8.1393 117.9617 59.2417 29.9027 177.0906 23 L 3.8204 8.3198 120.6104 57.7420 41.0304 179.2098 24 A 3.2428 8.1106 120.8785 55.1618 17.8931 179.6911 25 K 3.8343 7.2865 116.5073 59.3797 32.3364 178.6808 26 L 4.2009 7.5384 118.2591 56.7821 43.0392 178.2929 27 M 4.5171 8.0113 121.4113 52.5010 32.5323 174.1488 28 P 3.7307 0.0000 0.0000 63.3287 32.0165 177.9147 29 T 4.5656 7.3545 108.0611 61.4711 69.2493 173.8304 30 Q 4.6088 7.1589 120.1975 55.0298 29.9696 177.7872 31 W 4.4882 8.1710 120.0687 60.3266 28.9184 177.8554 32 R 4.0573 8.2378 116.1972 58.8837 29.2220 178.1561 33 T 4.3328 8.2828 115.5445 65.6009 69.2716 177.1351 34 I 3.8165 7.6920 121.0011 63.9733 37.1427 177.7763 35 A 4.3695 8.7475 123.8950 54.4147 18.0723 177.8348 36 P 4.5375 0.0000 0.0000 65.0273 31.6902 177.6743 37 I 4.0891 7.2272 117.5532 62.5912 37.3790 176.7982 38 I 4.3416 7.9390 119.6366 62.5918 38.6769 175.4034 39 G 3.5836 7.9725 110.2377 45.6333 0.0000 174.4189 40 R 4.3009 7.6468 119.2877 54.8562 31.8566 175.6602 41 T 4.3995 8.0974 109.4932 60.9417 71.0261 175.2821 42 A 4.1068 8.6724 123.2194 55.6507 18.3521 179.8479 43 A 3.8248 7.9973 118.3708 55.4179 18.4128 179.6744 44 Q 4.0501 7.9151 116.6010 59.3023 28.8517 178.8458 45 C 4.4778 8.8450 117.9797 62.8696 28.2606 175.9120 46 L 2.8639 7.7261 121.8714 57.6757 41.6420 178.3291 47 E 3.7731 8.3586 119.4895 59.6018 29.3076 178.2894 48 H 3.7641 7.9685 116.6799 59.7045 30.0269 175.8001 49 Y 4.1626 8.2135 121.0761 61.1620 38.3179 177.7915 50 E 3.4709 8.4764 118.6835 59.6385 29.7333 179.4118 51 F 3.9791 7.9288 119.8156 61.2340 39.3135 177.1260 52 L 3.6475 7.9112 118.5751 57.6650 41.3908 179.0741 53 L 3.7315 7.5388 118.3484 58.0691 41.5357 179.1797 54 D 4.1057 7.4613 117.4556 57.1054 41.2934 177.8548 55 K 3.4963 7.6438 120.2121 59.3764 31.7589 178.3686 56 A 3.8643 8.0352 119.6642 55.0641 18.4080 178.9257 57 A 4.0341 7.3153 117.3806 55.6258 18.5137 179.2712 58 Q 4.0298 7.8388 114.8083 58.3215 29.1276 177.9312 59 R 3.6832 7.1092 116.9231 56.1308 30.6431 175.2029 60 D 4.4783 9.0773 125.6741 57.7285 40.9443 177.4137 61 S 3.9718 8.1506 113.9529 58.3877 62.7582 174.8340 62 G 3.7127 8.5269 114.9536 44.5830 0.0000 171.0253 63 P 4.3539 0.0000 0.0000 62.4306 32.0724 176.4147 64 S 4.3736 8.1170 114.0678 56.2492 61.3479 171.9529 65 S 4.0834 8.2548 123.4836 58.3366 62.0898 175.3713 66 G 3.7250 8.2739 113.3653 45.7753 0.0000 171.1237 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 3.93 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 0.00 0.00 0.00 2 S 8.13 4.41 0.00 3.90 3.75 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 3 S 8.32 4.78 0.00 3.91 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 4 G 8.42 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 0.00 0.00 0.00 5 S 7.39 4.77 0.00 3.78 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 6 S 8.46 4.28 0.00 3.89 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 8.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.97 0.00 1.72 1.85 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 9 K 7.70 4.16 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.46 7.81 10 T 8.01 4.40 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 1.05 0.00 0.00 11 E 8.62 4.55 0.00 1.96 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 2.29 2.41 0.00 12 W 8.69 5.21 0.00 3.12 3.21 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 13 S 8.32 4.88 0.00 3.86 3.69 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 0.00 0.00 0.00 0.00 14 R 8.70 3.96 0.00 2.01 2.01 0.00 3.35 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 15 E 8.20 3.99 0.00 2.08 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 2.42 2.43 0.00 16 E 8.34 4.11 0.00 2.45 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 2.19 2.36 0.00 17 E 9.09 4.26 0.00 2.32 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 2.55 2.80 0.00 18 E 8.80 3.99 0.00 2.17 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 0.00 2.52 2.57 0.00 19 K 8.17 4.06 0.00 2.08 2.14 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.81 1.56 7.81 20 L 8.51 4.07 0.00 2.35 2.06 1.27 0.42 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 21 L 8.16 4.20 0.00 1.95 1.84 1.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.14 4.18 0.00 3.22 3.50 0.00 5.79 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 23 L 8.32 3.82 0.00 1.81 1.62 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.11 3.24 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.29 3.83 0.00 1.74 2.01 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.61 7.81 26 L 7.54 4.20 0.00 1.67 1.60 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.01 4.52 0.00 1.78 1.69 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 28 P 0.00 3.73 0.00 2.14 2.13 0.00 3.13 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 29 T 7.35 4.57 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 1.21 0.00 0.00 30 Q 7.16 4.61 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 31 W 8.17 4.49 0.00 3.43 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.24 4.06 0.00 1.84 2.05 0.00 3.26 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 33 T 8.28 4.33 4.34 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 1.20 0.00 0.00 34 I 7.69 3.82 1.98 0.00 0.00 0.40 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 0.60 0.99 0.00 0.00 35 A 8.75 4.37 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 36 P 0.00 4.54 0.00 2.25 2.21 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 37 I 7.23 4.09 2.03 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 1.53 0.70 0.92 0.00 0.00 38 I 7.94 4.34 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.92 0.00 0.00 39 G 7.97 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.30 0.00 1.85 1.99 0.00 2.57 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.39 0.00 41 T 8.10 4.40 4.28 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 1.23 0.00 0.00 42 A 8.67 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 3.82 1.31 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 0.00 0.00 0.00 44 Q 7.92 4.05 0.00 2.50 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 45 C 8.85 4.48 0.00 3.34 3.38 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 46 L 7.73 2.86 0.00 0.27 1.14 0.44 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.36 3.77 0.00 2.13 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 0.00 2.24 2.26 0.00 48 H 7.97 3.76 0.00 2.41 2.22 0.00 6.03 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.21 4.16 0.00 3.11 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 50 E 8.48 3.47 0.00 1.94 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 2.28 2.46 0.00 51 F 7.93 3.98 0.00 3.06 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 52 L 7.91 3.65 0.00 1.69 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.54 3.73 0.00 1.56 1.55 0.81 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.46 4.11 0.00 2.55 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 55 K 7.64 3.50 0.00 0.86 1.50 0.00 1.74 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.26 7.81 56 A 8.04 3.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.32 4.03 1.25 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 0.00 0.00 58 Q 7.84 4.03 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.48 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 59 R 7.11 3.68 0.00 1.79 1.91 0.00 3.33 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 60 D 9.08 4.48 0.00 2.67 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 61 S 8.15 3.97 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.53 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 63 P 0.00 4.35 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 64 S 8.12 4.37 0.00 3.83 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 65 S 8.25 4.08 0.00 3.89 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 66 G 8.27 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 0.00 0.00 0.00