NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3878 8.2493 123.5817 51.7650 21.8205 178.2848 2 K 3.9511 8.3755 114.4615 56.4080 31.4714 175.4266 3 T 4.5741 9.3472 109.3149 59.7011 74.7370 172.5217 4 I 4.0241 7.8566 129.9757 59.9440 37.6056 172.0749 5 K 4.9202 8.2988 122.7187 54.8390 35.0276 176.2490 6 I 4.4965 8.6623 126.7483 60.4444 39.7904 174.6674 7 T 4.7149 7.8335 116.7615 62.8268 72.1153 175.3682 8 Q 3.7932 8.9161 126.4799 57.6651 28.7836 175.1329 9 T 3.4709 7.3064 112.7239 62.7505 67.4125 172.1577 10 R 4.6302 7.2599 121.1140 54.1104 33.5863 175.9692 11 S 4.2942 8.3612 113.3874 58.3599 63.2517 173.5226 12 A 4.8607 8.0715 125.9071 51.7800 19.2834 177.8361 13 I 3.9155 7.6845 123.9741 64.6550 37.6920 178.6030 14 G 4.0923 7.8710 105.5581 45.2153 0.0000 173.4846 15 R 4.3666 7.7858 118.4136 54.9050 31.1763 176.4216 16 L 4.1641 8.2656 118.9037 54.3086 42.1891 176.9540 17 P 4.3083 0.0000 0.0000 65.7559 31.1939 179.1260 18 K 4.0938 7.9580 116.5391 59.0326 31.9868 178.9966 19 H 4.3549 8.1165 117.0281 58.9804 28.5884 177.8150 20 K 3.4029 8.2150 118.2550 59.2836 32.0949 178.9567 21 A 4.1358 7.6920 121.4739 55.3368 18.4302 179.6399 22 T 3.8060 8.0623 108.1727 65.0202 68.5545 175.9476 23 L 3.8924 8.5038 123.2508 57.8096 42.1485 178.7465 24 L 4.1742 8.0229 120.2039 58.1301 41.9298 178.8868 25 G 3.7823 8.0455 103.7307 48.0349 0.0000 174.8256 26 L 4.2094 8.1827 119.7790 54.9453 41.5146 179.1294 27 G 3.9842 8.5011 106.7913 45.1921 0.0000 174.1432 28 L 4.0418 7.3209 119.8442 55.6164 41.3308 175.5598 29 R 4.3417 7.8894 120.7968 57.5686 33.0162 178.5270 30 R 4.2777 7.2636 116.1568 55.6508 31.7342 177.0293 31 I 4.2374 8.2055 110.2516 61.3535 37.3230 177.2670 32 G 4.0394 7.9299 105.4748 47.3166 0.0000 174.2279 33 H 3.7013 7.9907 117.9738 57.4868 29.9975 172.1348 34 T 3.8939 8.1039 130.1796 62.8709 66.1917 171.5884 35 V 4.3694 7.7550 124.4365 59.3914 34.5771 173.7517 36 E 4.9272 8.5047 121.0290 54.7013 30.5810 174.5306 37 R 4.7572 8.3284 129.7719 56.1063 33.1334 172.9325 38 E 4.6658 8.5909 118.8263 55.4634 32.3380 176.6409 39 D 4.7501 8.3182 120.2865 54.1105 42.1067 176.6506 40 T 4.3773 7.9077 113.6305 61.7033 70.8365 173.1882 41 P 4.3522 0.0000 0.0000 65.7672 31.4731 178.7311 42 A 4.0966 7.8853 119.1136 55.2971 18.1909 179.3755 43 I 3.5977 7.6976 116.4182 63.9601 37.6543 177.4091 44 R 3.9639 8.6053 119.1672 57.9205 30.1380 178.1756 45 G 3.4654 8.2317 105.8034 47.9211 0.0000 175.8962 46 M 4.2447 7.9727 120.3355 57.9349 31.6506 178.7717 47 I 3.7104 7.3554 119.9691 64.3295 37.2146 177.4810 48 N 4.2603 7.6034 117.4528 57.7285 38.4900 175.5583 49 A 4.1021 7.5997 118.4502 55.6460 18.5450 178.0892 50 V 3.8733 7.7136 107.0204 60.8236 33.2576 179.2261 51 S 4.2061 8.2199 116.1498 60.7240 63.0754 175.8937 52 F 4.5514 8.6234 113.5004 58.4598 37.7701 175.0102 53 M 4.6415 7.3736 120.9106 54.7056 33.0517 175.2864 54 V 5.3566 7.5610 110.2212 60.7211 36.6532 174.0521 55 K 4.6356 8.3275 119.5302 55.1310 36.3130 175.8811 56 V 4.4314 8.4156 123.8133 61.5932 33.9041 175.0666 57 E 4.5444 8.4092 123.8544 54.8497 33.1366 175.8510 58 E 4.2129 8.7897 123.3295 56.3974 29.8109 176.2609 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 A 8.25 4.39 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 2 K 8.38 3.95 0.00 1.95 1.69 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.43 7.81 3 T 9.35 4.57 4.39 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 1.20 0.00 0.00 4 I 7.86 4.02 2.01 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 1.69 0.57 0.90 0.00 0.00 5 K 8.30 4.92 0.00 1.65 1.66 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 I 8.66 4.50 1.83 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 1.38 1.67 0.88 0.00 0.00 7 T 7.83 4.71 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 1.21 0.00 0.00 8 Q 8.92 3.79 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.26 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 9 T 7.31 3.47 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 1.19 0.00 0.00 10 R 7.26 4.63 0.00 1.70 1.82 0.00 3.29 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 11 S 8.36 4.29 0.00 3.83 3.76 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 12 A 8.07 4.86 1.22 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 13 I 7.68 3.92 1.89 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 1.24 0.58 0.92 0.00 0.00 14 G 7.87 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.79 4.37 0.00 1.89 2.08 0.00 3.38 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.07 0.00 16 L 8.27 4.16 0.00 1.32 1.47 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.31 0.00 2.15 2.11 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 18 K 7.96 4.09 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 H 8.12 4.35 0.00 3.47 3.40 0.00 5.63 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 20 K 8.21 3.40 0.00 1.74 1.91 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.81 7.81 21 A 7.69 4.14 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 22 T 8.06 3.81 4.26 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 1.38 0.00 0.00 23 L 8.50 3.89 0.00 1.82 1.86 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.02 4.17 0.00 1.93 1.95 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.05 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 0.00 0.00 0.00 26 L 8.18 4.21 0.00 1.84 1.70 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.50 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 28 L 7.32 4.04 0.00 1.77 1.66 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.89 4.34 0.00 1.48 1.71 0.00 3.11 0.00 0.00 3.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 30 R 7.26 4.28 0.00 1.85 1.86 0.00 3.08 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 31 I 8.21 4.24 1.86 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 1.34 0.53 0.90 0.00 0.00 32 G 7.93 4.04 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 0.00 33 H 7.99 3.70 0.00 3.27 3.28 0.00 6.06 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.10 3.89 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 1.24 0.00 0.00 35 V 7.75 4.37 1.88 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 0.87 0.00 0.00 0.86 0.00 0.00 36 E 8.50 4.93 0.00 1.96 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 2.18 2.26 0.00 37 R 8.33 4.76 0.00 1.80 1.69 0.00 3.33 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 E 8.59 4.67 0.00 1.86 1.82 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 2.25 2.35 0.00 39 D 8.32 4.75 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.38 4.24 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 1.24 0.00 0.00 41 P 0.00 4.35 0.00 2.01 2.15 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 42 A 7.89 4.10 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 43 I 7.70 3.60 1.87 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 1.66 1.19 0.98 0.00 0.00 44 R 8.61 3.96 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 G 8.23 3.47 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 0.00 0.00 0.00 46 M 7.97 4.24 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.64 0.00 47 I 7.36 3.71 1.96 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 1.56 1.41 0.90 0.00 0.00 48 N 7.60 4.26 0.00 2.69 3.02 0.00 0.00 7.17 8.03 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 49 A 7.60 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.71 3.87 1.77 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 0.71 0.00 0.00 0.93 0.00 0.00 51 S 8.22 4.21 0.00 4.01 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 0.00 52 F 8.62 4.55 0.00 3.21 3.15 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 53 M 7.37 4.64 0.00 1.52 1.53 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.02 0.00 54 V 7.56 5.36 2.03 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 0.75 0.00 0.00 0.96 0.00 0.00 55 K 8.33 4.64 0.00 1.63 1.62 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.41 7.81 56 V 8.42 4.43 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 0.82 0.00 0.00 0.92 0.00 0.00 57 E 8.41 4.54 0.00 1.99 1.79 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 2.20 2.39 0.00 58 E 8.79 4.21 0.00 1.92 1.84 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 2.24 2.34 0.00