NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3242 8.2549 117.2815 54.8684 30.8079 175.0468 2 P 4.0444 0.0000 0.0000 61.8736 31.9398 174.4836 3 D 4.4575 8.4783 122.9319 53.1589 42.1808 176.6209 4 F 4.4228 8.4899 122.5730 59.4723 38.1046 177.7938 5 C 4.6505 8.1110 118.3673 59.0503 40.0441 174.1594 6 L 4.4750 7.8057 118.0398 54.5181 41.7880 176.4886 7 E 4.3365 7.8120 119.4156 54.8685 30.2241 175.0638 8 P 4.3584 0.0000 0.0000 61.5352 32.0807 174.6548 9 P 3.6601 0.0000 0.0000 62.6921 31.4207 175.1645 10 Y 4.6418 7.9480 121.9919 56.0962 40.1627 175.3947 11 T 4.1647 8.2803 125.2814 65.0812 68.8694 176.1122 12 G 3.7098 6.7478 104.8926 44.0086 0.0000 171.3029 13 P 4.3213 0.0000 0.0000 65.0028 32.0725 177.0578 14 C 4.2948 7.7754 116.6437 59.8079 28.5636 173.4711 15 K 4.3499 8.2275 120.1693 56.4778 32.2695 176.7492 16 A 4.3037 7.7268 120.9869 51.2497 20.7153 177.6225 17 R 4.6492 8.1778 118.8830 54.3009 29.8045 172.8900 18 I 4.4017 8.3172 122.6426 59.1002 39.7375 174.8458 19 I 4.3624 8.2910 128.3233 61.0042 37.8329 175.3409 20 R 4.8607 8.3647 125.0672 54.6102 34.8554 173.6735 21 Y 5.6557 9.4977 117.7123 56.6332 41.0208 175.3746 22 F 5.7219 9.5679 116.8988 55.4578 41.8247 172.8809 23 Y 4.4600 10.1957 122.8937 57.2145 40.0014 173.8498 24 N 4.5139 8.1360 126.9920 51.8338 38.8679 175.1713 25 A 3.8007 8.4666 130.1618 54.8618 18.9549 178.6703 26 K 3.9938 8.1940 115.7220 59.2636 32.3582 177.5178 27 A 4.1878 7.8190 119.4698 51.8562 19.1090 177.1242 28 G 3.8998 8.2123 103.9668 45.3003 0.0000 173.3582 29 L 4.5759 6.7843 116.7104 54.2805 43.9736 174.6517 30 C 4.8878 8.7294 118.1228 56.9747 39.5127 173.1382 31 Q 4.9030 8.7130 122.6608 54.0941 32.3121 174.7793 32 T 4.8805 8.3262 110.7019 61.3129 70.7801 173.5770 33 F 4.9462 8.7738 116.8256 56.1963 42.0128 172.7340 34 V 4.3661 8.4232 119.6595 61.9326 32.2428 174.0951 35 Y 4.8080 8.8110 129.9419 55.9576 40.4915 176.4454 36 G 3.8541 8.1557 113.4412 45.9567 0.0000 174.6911 37 G 3.6543 5.6810 107.8538 45.7765 0.0000 173.4781 38 S 4.7134 7.0066 111.1129 58.2174 65.2928 172.7582 39 R 3.9768 8.8329 118.5400 56.9260 27.0239 176.8439 40 A 4.2730 8.4119 119.6175 52.5829 18.8261 178.5480 41 K 4.3648 8.2968 120.9022 54.9173 33.9707 177.2113 42 R 3.5964 8.0265 117.9642 58.8645 30.4356 177.5776 43 N 4.7649 7.8026 117.9693 51.3669 37.4362 174.2196 44 N 5.0752 6.4274 116.4502 52.7880 41.8067 173.1346 45 F 5.0760 9.5200 124.7636 55.5915 42.5098 176.5338 46 K 4.5243 8.8788 122.1824 58.4490 32.6587 177.6201 47 S 4.5773 7.7442 112.5003 55.6385 67.1546 174.6231 48 A 3.2545 7.4940 123.9817 54.9010 18.0557 179.9319 49 E 3.7784 7.7948 116.7256 59.5985 29.5942 179.1078 50 D 4.2788 8.0366 118.8772 57.3637 40.8996 177.9916 51 C 2.4500 7.6727 118.7298 59.4575 44.8119 175.6219 52 M 3.9007 8.0090 120.5242 58.2288 31.2492 178.7587 53 R 3.7951 7.6812 118.1037 59.4791 30.2961 178.2708 54 T 4.1978 7.4281 114.3962 65.3693 69.1496 174.9604 55 C 4.5246 8.1817 115.6888 55.7790 41.6631 174.0340 56 G 3.7316 7.5214 110.1075 47.2256 0.0000 174.2184 57 G 3.7944 8.8234 111.7553 45.2715 0.0000 173.1480 58 A 4.0030 7.1052 127.6336 52.2255 18.2246 177.7344 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 R 8.25 4.32 0.00 1.96 2.02 0.00 3.04 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 2 P 0.00 4.04 0.00 2.18 2.05 0.00 3.69 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 2.04 2.14 0.00 3 D 8.48 4.46 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.42 0.00 3.22 3.32 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 5 C 8.11 4.65 0.00 2.97 3.19 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 0.00 6 L 7.81 4.48 0.00 1.77 1.76 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.81 4.34 0.00 2.08 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 2.43 2.49 0.00 8 P 0.00 4.36 0.00 1.99 1.92 0.00 3.68 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 2.02 2.08 0.00 9 P 0.00 3.66 0.00 0.54 0.49 0.00 3.30 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.95 4.64 0.00 2.82 2.92 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 11 T 8.28 4.16 4.10 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 0.00 0.00 1.17 0.00 0.00 12 G 6.75 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 13 P 0.00 4.32 0.00 2.17 2.19 0.00 3.77 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 1.96 2.02 0.00 14 C 7.78 4.29 0.00 2.81 2.78 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 15 K 8.23 4.35 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.35 7.81 16 A 7.73 4.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.18 4.65 0.00 1.73 1.76 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.32 4.40 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.98 0.00 0.00 19 I 8.29 4.36 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.72 0.00 0.00 20 R 8.36 4.86 0.00 0.87 1.91 0.00 3.40 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 21 Y 9.50 5.66 0.00 3.18 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 22 F 9.57 5.72 0.00 3.24 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 23 Y 10.20 4.46 0.00 3.06 3.19 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 0.00 24 N 8.14 4.51 0.00 2.19 2.44 0.00 0.00 6.64 8.57 0.00 0.00 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 A 8.47 3.80 1.39 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 26 K 8.19 3.99 0.00 1.72 2.00 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 A 7.82 4.19 1.17 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 0.00 0.00 28 G 8.21 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 29 L 6.78 4.58 0.00 1.66 1.67 0.89 0.51 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 30 C 8.73 4.89 0.00 2.91 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 31 Q 8.71 4.90 0.00 1.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 32 T 8.33 4.88 4.05 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 0.64 0.00 0.00 33 F 8.77 4.95 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.37 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.81 4.81 0.00 2.48 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 36 G 8.16 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 37 G 5.68 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.01 4.71 0.00 3.76 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 39 R 8.83 3.98 0.00 2.27 2.23 0.00 3.49 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 40 A 8.41 4.27 1.04 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 0.00 0.00 41 K 8.30 4.36 0.00 1.74 1.69 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 1.10 7.81 42 R 8.03 3.60 0.00 0.89 0.66 0.00 2.31 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.24 0.00 43 N 7.80 4.76 0.00 3.18 2.86 0.00 0.00 6.69 7.79 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 44 N 6.43 5.08 0.00 2.68 2.56 0.00 0.00 7.08 7.02 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 45 F 9.52 5.08 0.00 3.31 2.98 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 46 K 8.88 4.52 0.00 1.84 1.95 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.74 4.58 0.00 4.01 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 48 A 7.49 3.25 0.91 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 0.00 0.00 49 E 7.79 3.78 0.00 1.98 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 2.34 2.38 0.00 50 D 8.04 4.28 0.00 2.92 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 51 C 7.67 2.45 0.00 2.86 3.03 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 52 M 8.01 3.90 0.00 1.99 1.98 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 2.68 2.50 0.00 53 R 7.68 3.80 0.00 1.84 2.01 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.43 4.20 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 1.61 0.00 0.00 55 C 8.18 4.52 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.52 3.73 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 0.00 0.00 0.00 57 G 8.82 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 58 A 7.11 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00