NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.7642 8.4449 117.3742 54.4850 29.1317 172.8678 7 L 4.6989 8.4332 118.8963 54.4250 44.2879 174.4173 8 T 4.4345 9.1860 120.5357 62.4923 70.9079 173.5735 9 E 4.7606 8.2914 123.2063 54.9090 31.5791 175.2174 10 Y 4.7578 8.4244 119.6280 56.4108 41.9239 174.6725 11 T 4.6429 8.1984 111.3672 60.4267 71.2401 173.5945 12 L 4.4325 7.9387 121.4844 54.0072 44.8794 173.7848 13 Q 4.5834 8.6944 125.9288 54.1890 31.0130 174.2575 14 A 4.7923 8.2632 126.7665 50.1718 22.7400 174.9794 15 N 4.7648 8.5169 116.7501 51.9723 38.7228 176.0067 16 W 4.1445 9.0825 129.4619 60.8195 30.7437 177.8894 17 F 4.2546 9.5750 115.5088 59.2073 38.6708 176.1447 18 D 4.7154 8.1768 120.1856 54.9592 41.1161 178.4469 19 I 3.6405 7.3004 120.9976 64.6629 37.1411 178.3391 20 T 3.8913 7.6702 110.0239 64.5547 68.4441 176.6629 21 G 3.6170 7.9553 108.2512 47.7168 0.0000 175.5653 22 I 3.7620 7.8247 122.3779 64.1728 37.1849 178.5517 23 L 3.9873 8.1958 120.1172 57.4041 41.1980 179.4023 24 W 4.0814 8.0766 127.4326 60.4957 30.8696 177.7645 25 L 3.8963 8.5020 119.2904 57.6283 41.0291 179.1937 26 L 4.0015 8.2616 120.6560 58.1197 41.8430 179.3592 27 G 3.5498 7.9023 105.5062 47.6553 0.0000 175.3521 28 Q 4.0328 7.2533 118.3518 57.0534 28.6597 177.0770 29 V 4.3131 7.0089 112.6099 60.8155 32.6323 174.8517 30 D 4.3381 7.7309 117.1441 55.3941 38.6368 174.4020 31 G 4.0927 8.1691 107.0504 44.2543 0.0000 174.0722 32 K 4.6250 8.0404 117.6970 54.3456 35.9752 176.1876 33 I 4.2459 8.2069 122.3879 60.5002 37.8811 176.0132 34 I 4.1271 8.3821 126.5182 63.3811 37.8077 175.9139 35 N 5.0235 7.6168 114.3915 52.0530 42.3453 173.5032 36 S 4.7683 8.0647 114.3354 57.0717 66.3109 172.1724 37 D 4.5160 8.0019 118.5617 53.8654 43.6662 174.5208 38 V 4.6311 8.1104 120.8525 61.2065 34.4606 174.6887 39 Q 4.3640 8.4010 122.5561 54.4441 32.6896 174.0533 40 A 4.5988 8.0737 124.8212 50.8801 20.5332 176.3439 41 F 4.8997 8.3503 118.4446 55.6678 43.1212 174.3504 42 V 4.2737 8.4612 121.9930 61.3230 32.5862 175.0636 43 L 4.5778 8.5267 127.3007 53.3294 42.5850 175.6809 44 L 4.6312 8.4374 123.7338 52.7936 43.6769 175.8317 45 R 4.4576 8.5125 123.1569 54.8190 30.8231 175.5323 46 V 4.3176 8.2252 118.0854 59.4777 34.1725 175.8255 47 A 4.4909 8.2344 124.2926 50.2597 19.9351 175.3215 48 L 4.8087 7.9652 120.3561 53.5467 43.7250 174.9908 49 P 4.3719 0.0000 0.0000 62.5779 32.8291 177.0474 50 A 4.2269 8.1438 124.1123 51.3636 16.8984 178.4622 *52 K 4.3700 7.6646 120.4170 55.2460 34.8317 179.4908 53 V 3.9311 7.4678 120.7144 62.5204 30.7902 177.6720 *55 E 4.2012 8.3876 119.2770 55.9202 31.5402 176.8892 56 F 4.3324 8.9341 120.5125 61.8337 39.3558 177.3495 57 S 3.9877 8.2148 114.2634 61.2520 62.5462 176.6842 58 A 3.9584 7.8358 123.0514 55.2113 18.2236 179.7344 59 K 3.9757 8.2149 117.2000 59.3800 31.9246 179.3442 60 L 3.7802 8.2461 120.8751 57.8697 41.8748 179.0220 61 A 3.9520 7.9191 120.6499 55.2156 18.1663 179.1530 62 D 4.3136 7.8231 116.0104 57.7508 41.0521 178.5533 63 F 4.3028 8.3705 120.0078 60.5718 39.3993 176.2077 64 S 4.4460 7.6884 110.6715 56.5812 64.4127 173.7487 65 G 3.6987 8.9765 110.5360 46.8555 0.0000 175.0009 66 G 3.9761 8.4698 107.5029 45.0799 0.0000 174.7489 67 S 4.3614 7.3318 112.3573 58.8346 63.7689 173.8563 68 L 4.5624 7.6468 123.2748 53.5352 43.1508 175.1783 69 Q 4.5013 8.3871 123.7661 53.8552 31.5234 174.5689 70 L 4.3723 8.5057 125.2346 54.2343 43.0533 176.2869 71 L 4.3904 8.3804 124.6906 55.0039 42.4120 176.2258 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 *6 H 8.44 4.76 0.00 2.95 2.72 0.00 7.11 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.43 4.70 0.00 1.65 1.59 0.92 0.50 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 8 T 9.19 4.43 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 0.99 0.00 0.00 9 E 8.29 4.76 0.00 1.85 1.83 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 2.22 2.26 0.00 10 Y 8.42 4.76 0.00 2.83 2.82 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 0.00 0.00 0.00 11 T 8.20 4.64 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 1.24 0.00 0.00 12 L 7.94 4.43 0.00 1.60 1.55 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.58 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 14 A 8.26 4.79 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 15 N 8.52 4.76 0.00 3.13 3.07 0.00 0.00 5.58 8.88 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 16 W 9.08 4.14 0.00 3.32 3.10 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 0.00 17 F 9.57 4.25 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.18 4.72 0.00 2.87 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 19 I 7.30 3.64 1.63 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 1.63 0.87 0.79 0.00 0.00 20 T 7.67 3.89 4.16 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 0.96 0.00 0.00 21 G 7.96 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.76 2.06 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 1.54 0.74 0.92 0.00 0.00 23 L 8.20 3.99 0.00 1.87 1.74 0.89 1.06 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 24 W 8.08 4.08 0.00 3.34 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 3.90 0.00 1.92 1.70 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.26 4.00 0.00 1.99 1.77 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.90 3.55 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 0.00 0.00 0.00 28 Q 7.25 4.03 0.00 1.76 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.32 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 29 V 7.01 4.31 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 0.66 0.00 0.00 0.96 0.00 0.00 30 D 7.73 4.34 0.00 2.74 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 31 G 8.17 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 32 K 8.04 4.63 0.00 1.68 1.66 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.48 7.81 33 I 8.21 4.25 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 1.41 0.52 0.94 0.00 0.00 34 I 8.38 4.13 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 1.43 0.78 0.92 0.00 0.00 35 N 7.62 5.02 0.00 2.66 2.68 0.00 0.00 6.65 7.57 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 36 S 8.06 4.77 0.00 3.94 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 37 D 8.00 4.52 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 38 V 8.11 4.63 2.10 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 0.94 0.00 0.00 1.00 0.00 0.00 39 Q 8.40 4.36 0.00 2.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 40 A 8.07 4.60 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 41 F 8.35 4.90 0.00 3.00 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 42 V 8.46 4.27 2.16 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 0.87 0.00 0.00 0.98 0.00 0.00 43 L 8.53 4.58 0.00 1.71 1.62 0.95 1.01 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 44 L 8.44 4.63 0.00 1.64 1.60 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.51 4.46 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 46 V 8.23 4.32 1.99 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 0.81 0.00 0.00 0.96 0.00 0.00 47 A 8.23 4.49 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 48 L 7.97 4.81 0.00 1.54 1.34 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.37 0.00 2.18 2.06 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 50 A 8.14 4.23 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 *52 K 7.66 4.37 0.00 1.81 1.92 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.37 7.81 53 V 7.47 3.93 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 1.02 0.00 0.00 *55 E 8.39 4.20 0.00 2.11 2.21 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 2.33 2.34 0.00 56 F 8.93 4.33 0.00 3.10 3.09 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 57 S 8.21 3.99 0.00 3.92 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 58 A 7.84 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.21 3.98 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.57 7.81 60 L 8.25 3.78 0.00 1.32 1.55 0.49 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.92 3.95 1.38 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 0.00 0.00 62 D 7.82 4.31 0.00 2.85 2.79 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 63 F 8.37 4.30 0.00 2.99 3.30 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 64 S 7.69 4.45 0.00 3.98 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 65 G 8.98 3.70 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 0.00 0.00 0.00 66 G 8.47 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 67 S 7.33 4.36 0.00 4.11 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 68 L 7.65 4.56 0.00 1.65 1.60 1.01 0.79 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 69 Q 8.39 4.50 0.00 2.27 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.24 1.87 0.00 70 L 8.51 4.37 0.00 1.59 1.60 1.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.38 4.39 0.00 1.63 1.50 0.91 0.88 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 * Residues marked with a * may have inaccurate shift predictions.