NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2935 8.3049 120.3218 55.3726 33.3011 174.2759 2 M 2.9768 7.3533 117.9809 52.4985 32.6081 175.9354 3 I 3.2922 7.3966 115.2374 59.3561 39.3244 173.8157 4 P 4.1950 0.0000 0.0000 62.5212 31.3482 175.9038 5 I 3.6780 8.1805 124.1069 61.7856 38.4767 171.6963 6 R 4.2244 8.7621 133.5411 55.6802 30.3267 175.6452 7 C 4.1129 8.6218 123.2097 58.8920 32.2658 174.3644 8 F 4.5756 8.4078 125.3709 61.1890 38.5397 176.8206 9 T 4.1670 7.6694 116.3909 66.3584 68.9905 175.0556 10 C 4.2946 7.9832 115.6171 59.6402 42.2858 174.1749 11 G 3.6372 7.3798 106.9716 44.8997 0.0000 174.6060 12 S 4.3003 8.0317 114.8387 57.6893 63.7138 173.7834 13 L 4.3787 8.2216 121.5564 55.3957 42.0687 177.2822 14 I 4.4307 8.1748 118.4948 62.1451 40.6217 177.6510 15 A 4.0489 8.2354 123.1260 55.1840 18.3299 179.2252 16 D 4.4590 8.1772 113.7167 55.8910 39.5846 177.0679 17 K 4.5559 7.8801 118.3988 56.1675 32.6805 178.1943 18 W 4.3612 8.2685 131.3959 60.4239 30.3317 177.8169 19 Q 3.8306 8.4545 117.8966 58.7169 27.8636 177.5531 20 P 4.0317 0.0000 0.0000 65.6384 31.2075 178.1689 21 F 4.1554 7.5747 120.7270 61.1343 39.4446 177.2907 22 I 3.2008 7.0110 111.8273 63.7228 37.3599 178.2493 23 T 3.7550 7.0833 117.6598 66.2642 68.2472 176.5573 24 R 4.0490 7.4892 119.0997 58.0318 30.0359 179.0552 25 V 3.7520 6.7828 119.2867 65.1731 31.6172 177.5943 26 N 4.3694 7.8343 114.7949 55.6086 38.3029 177.1794 27 A 4.1494 7.5611 121.8010 54.1957 18.6528 178.9081 28 G 4.6147 7.5467 115.3621 46.6993 0.0000 172.8944 29 E 3.8442 7.6352 120.5310 56.1396 30.2981 175.4958 30 N 4.4436 8.6170 122.6050 52.8431 40.3956 174.2235 31 P 4.4588 0.0000 0.0000 65.9423 30.9645 178.7993 32 G 3.6557 8.4062 105.5614 47.7936 0.0000 175.6713 33 K 4.5460 7.9538 121.4538 57.5942 32.3241 179.4587 34 V 3.6484 7.7005 119.1605 65.9959 31.3989 177.9984 35 L 4.1682 8.1037 118.3268 57.4291 41.3485 178.9067 36 D 4.5419 7.6156 118.8858 56.7208 40.6140 177.9907 37 D 4.4272 7.9211 117.6608 55.5692 41.4661 176.4303 38 L 4.4017 7.2763 118.5795 53.6559 43.3298 177.2490 39 G 3.8112 8.2815 109.8021 44.7433 0.0000 174.5818 40 V 4.2759 7.3369 116.1093 60.9635 34.4890 174.1467 41 K 3.9302 9.0011 129.9481 58.0814 30.1246 180.4518 42 R 4.3243 8.9119 129.4747 56.1813 32.9980 175.1940 43 Y 4.3135 8.1774 117.3924 59.3833 38.2322 177.6084 44 C 4.0093 7.2733 116.7749 61.7968 29.7400 176.4373 45 C 4.3208 7.8917 117.3425 58.7233 34.5550 175.5207 46 R 3.8832 7.6068 121.0777 59.0678 29.5412 178.0737 47 R 3.8896 8.2963 118.9099 59.7583 29.7094 177.9993 48 M 3.7628 7.2005 116.7105 58.4944 32.1416 177.8350 49 L 4.1919 7.5390 118.0734 57.2518 42.0944 178.6791 50 L 4.4652 7.7353 115.6911 56.1066 41.5696 177.2309 51 S 4.7155 7.5390 111.3234 57.7596 63.8959 173.6586 52 H 4.6706 8.0870 120.8985 56.3183 30.3486 174.5989 53 I 4.1792 7.9268 124.4063 61.2929 40.2701 174.8369 54 D 4.0812 7.5558 117.1098 54.8641 38.0850 174.1119 55 I 4.1405 7.2076 111.8234 61.7767 38.9711 178.3906 56 I 3.6481 7.4529 122.0553 64.3068 37.9041 177.1599 57 S 4.4470 8.0142 111.7121 58.5960 62.6402 174.0658 58 E 4.6175 7.9031 119.0374 56.4608 30.8589 176.6857 59 V 4.3162 7.5215 117.0219 63.5099 33.0487 176.1639 60 I 3.7498 7.6689 119.8452 63.9863 38.1793 176.1127 61 H 4.6731 7.3917 116.6985 53.7419 27.1872 172.9248 62 Y 4.8151 7.5331 118.1889 59.4365 46.7591 178.3997 63 T 3.3829 8.8751 115.6000 64.1177 66.4338 171.8227 64 R 4.1943 9.0015 128.6434 57.1595 30.4683 173.4624 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 8.30 4.29 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 M 7.35 2.98 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 3 I 7.40 3.29 1.65 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 1.18 -0.36 0.45 0.00 0.00 4 P 0.00 4.20 0.00 2.29 2.29 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 5 I 8.18 3.68 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.91 0.00 0.00 6 R 8.76 4.22 0.00 2.06 2.07 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 7 C 8.62 4.11 0.00 2.83 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 8 F 8.41 4.58 0.00 3.01 2.97 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 9 T 7.67 4.17 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 1.16 0.00 0.00 10 C 7.98 4.29 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.30 0.00 4.00 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 13 L 8.22 4.38 0.00 1.64 1.65 0.92 0.77 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 14 I 8.17 4.43 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 0.82 0.00 0.00 15 A 8.24 4.05 1.30 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 0.00 0.00 0.00 16 D 8.18 4.46 0.00 2.83 2.85 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 17 K 7.88 4.56 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 18 W 8.27 4.36 0.00 3.37 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 19 Q 8.45 3.83 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 20 P 0.00 4.03 0.00 2.27 2.30 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 21 F 7.57 4.16 0.00 3.16 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 22 I 7.01 3.20 1.45 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 -0.30 -0.22 0.60 0.00 0.00 23 T 7.08 3.76 4.23 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 0.00 0.00 0.00 1.12 0.00 0.00 24 R 7.49 4.05 0.00 1.71 1.99 0.00 3.09 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 1.56 1.55 0.00 25 V 6.78 3.75 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.35 0.00 0.00 26 N 7.83 4.37 0.00 2.70 2.78 0.00 0.00 7.03 6.79 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 27 A 7.56 4.15 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 28 G 7.55 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.84 0.00 1.96 1.92 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 2.37 2.32 0.00 30 N 8.62 4.44 0.00 2.79 2.68 0.00 0.00 6.81 7.71 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 31 P 0.00 4.46 0.00 2.50 2.38 0.00 3.76 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 2.13 2.09 0.00 32 G 8.41 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.55 0.00 1.82 1.87 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.36 7.81 34 V 7.70 3.65 2.35 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 1.10 0.00 0.00 0.91 0.00 0.00 35 L 8.10 4.17 0.00 1.81 1.70 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.62 4.54 0.00 2.71 2.72 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 37 D 7.92 4.43 0.00 2.72 2.83 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 38 L 7.28 4.40 0.00 1.82 1.61 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.28 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.34 4.28 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 0.80 0.00 0.00 0.86 0.00 0.00 41 K 9.00 3.93 0.00 1.76 1.40 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 42 R 8.91 4.32 0.00 1.69 1.63 0.00 2.99 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 43 Y 8.18 4.31 0.00 3.22 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 44 C 7.27 4.01 0.00 3.04 2.89 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 0.00 0.00 0.00 45 C 7.89 4.32 0.00 2.90 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 3.88 0.00 1.97 1.94 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 47 R 8.30 3.89 0.00 1.96 2.20 0.00 3.18 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 48 M 7.20 3.76 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 49 L 7.54 4.19 0.00 1.12 0.91 0.70 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.74 4.47 0.00 1.65 1.78 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.54 4.72 0.00 4.06 3.91 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 52 H 8.09 4.67 0.00 3.18 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.93 4.18 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.91 0.00 0.00 54 D 7.56 4.08 0.00 2.64 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 55 I 7.21 4.14 1.87 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 1.29 0.90 0.91 0.00 0.00 56 I 7.45 3.65 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.94 0.00 0.00 57 S 8.01 4.45 0.00 4.05 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 58 E 7.90 4.62 0.00 2.06 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 0.00 2.31 2.25 0.00 59 V 7.52 4.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 60 I 7.67 3.75 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.81 0.00 0.00 61 H 7.39 4.67 0.00 2.91 3.21 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.53 4.82 0.00 3.07 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 63 T 8.88 3.38 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 64 R 9.00 4.19 0.00 1.72 1.73 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00