NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2603 8.3449 121.7108 55.6735 30.9733 175.5550 6 K 4.0720 7.8183 116.0473 55.0605 33.0494 174.6629 7 I 4.7630 8.3686 123.7228 59.9937 41.3928 174.6464 8 Y 4.8012 9.1240 118.6794 56.7368 39.8907 175.4720 9 S 4.7126 7.6068 114.3524 55.3014 67.6283 172.8653 10 P 4.2121 0.0000 0.0000 65.9335 30.9298 179.2488 11 T 3.8224 7.7535 114.2314 66.5726 68.6039 176.5176 12 Q 3.9409 7.8430 121.6352 58.8317 28.9631 178.1289 13 L 3.9247 7.7221 120.3650 57.9140 42.2082 178.3597 14 A 3.6422 7.8002 120.7468 55.4481 18.2304 179.2673 15 N 4.2091 8.3014 114.4659 56.5740 38.4371 177.6030 16 A 4.0725 7.8639 121.5598 55.2473 18.3490 179.6877 17 M 4.1251 8.2563 117.4464 58.1658 32.1173 178.5053 18 K 4.1853 8.3324 121.5747 59.0415 32.3314 178.4182 19 L 3.9516 7.9666 120.1834 58.0279 41.6407 179.2602 20 V 3.5363 7.4137 117.5297 66.0833 31.8303 177.6077 21 R 4.2027 8.3035 118.7170 59.9693 29.9511 178.0677 22 Q 3.9691 8.3439 117.3978 59.1359 28.6442 178.8927 23 Q 4.0511 8.0068 117.0394 57.4578 29.6227 177.2064 24 N 4.6572 7.3197 119.0324 52.8909 38.3804 174.3331 25 G 4.5874 7.1048 111.0833 45.5952 0.0000 172.9727 26 W 5.2979 9.1284 125.3381 55.9730 30.9562 176.1823 27 T 4.8334 8.1259 109.1973 59.5731 72.5293 174.8185 28 Q 4.0884 8.6288 120.3975 59.2199 28.6364 179.3613 29 S 4.2139 8.0427 114.6872 60.9602 63.4140 175.8411 30 E 3.8877 8.2730 122.4101 59.6347 29.2410 179.1159 31 L 3.7048 7.7885 117.8505 58.0041 41.6579 179.3438 32 A 3.9406 8.1469 120.2347 55.4658 16.8655 179.7350 33 K 3.9572 8.2803 116.5717 59.0041 31.9550 179.6541 34 K 4.1448 7.9333 118.5249 58.1257 31.9736 177.6355 35 I 4.2829 7.3664 107.9604 59.9112 39.2317 176.1399 36 G 3.9414 8.7834 109.8382 45.7498 0.0000 172.9974 37 I 4.6444 7.2748 110.5030 58.0417 41.0280 174.9715 38 K 4.2228 8.2243 120.2898 55.9905 32.6784 178.3431 39 Q 4.0854 8.6772 122.2016 58.4955 28.7776 178.6370 40 A 4.0270 7.9473 121.6870 55.8789 18.2946 179.1665 41 T 3.6913 7.7945 113.9838 67.3171 68.6374 176.7275 42 I 3.7499 7.7483 120.7964 63.9406 37.2851 178.2951 43 S 4.1799 7.7776 114.4286 61.3469 62.5262 175.7505 44 N 4.4136 8.9663 119.7265 55.6525 37.9680 176.6811 45 F 4.4306 7.4048 120.8662 60.6045 40.1511 177.2809 46 E 3.7168 8.2800 117.4548 58.3490 28.9732 178.2982 47 N 4.6134 7.8220 115.0289 53.3292 41.1931 174.7519 48 N 5.0056 7.7864 117.1255 51.3525 39.1982 173.1849 49 P 4.4033 0.0000 0.0000 65.3045 32.3037 179.1466 50 D 4.4048 7.6771 117.7946 57.0330 40.6842 176.8986 51 N 4.8117 7.9159 112.5839 52.8975 39.1975 175.1544 52 T 3.9726 7.4183 115.4341 63.9254 69.1560 174.9395 53 T 4.2259 8.3713 116.4013 61.5394 71.0574 175.5444 54 L 4.2875 8.4641 121.2530 57.8849 41.6923 179.6505 55 T 3.9270 7.9855 112.9426 65.5093 67.4098 176.1440 56 T 3.8123 7.6321 116.5526 66.5989 68.5143 176.2003 57 F 3.8815 8.1791 122.5443 61.5953 39.2104 177.2650 58 F 3.5250 8.1156 116.9969 59.7439 38.6342 177.6564 59 K 3.7662 7.9195 118.3628 59.9513 31.6450 179.2383 60 I 3.5401 7.5059 119.4764 64.1588 36.8896 178.3850 61 L 3.7737 7.4050 121.2788 57.9492 41.8160 178.9042 62 Q 3.9344 8.3089 118.5039 59.1753 28.4334 178.8493 63 S 3.9750 7.8676 115.0092 61.2181 62.9540 175.9621 64 L 4.5438 7.2546 117.9823 53.6133 42.4031 175.9055 65 E 3.7715 8.0883 117.2862 57.8435 26.9620 174.0453 66 L 4.9021 7.8931 116.5698 52.9144 45.5416 176.5314 67 S 5.0191 8.3913 115.1033 56.5622 65.8179 172.7357 68 M 4.9110 8.4340 115.6160 53.9758 33.8853 173.9469 69 T 4.7211 8.2540 113.2755 60.2768 70.8949 172.6822 70 L 4.6916 8.2571 123.8788 53.2817 43.3756 176.0557 71 C 4.9248 8.1152 118.9720 57.5607 30.7610 172.8557 72 D 4.1138 7.9428 120.6000 57.1233 40.8514 176.4525 *84 L 3.8506 7.6025 122.5182 54.9622 42.7361 176.7254 85 E 4.4470 8.4298 121.1477 55.7606 30.3360 176.2949 86 W 4.4604 7.1925 122.1483 57.4464 27.5543 174.0469 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 5 Q 8.34 4.26 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 6 K 7.82 4.07 0.00 1.88 1.41 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.49 7.81 7 I 8.37 4.76 1.75 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 1.39 0.72 0.86 0.00 0.00 8 Y 9.12 4.80 0.00 2.88 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 9 S 7.61 4.71 0.00 3.98 3.94 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 0.00 0.00 0.00 10 P 0.00 4.21 0.00 2.29 2.09 0.00 3.57 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 2.17 2.12 0.00 11 T 7.75 3.82 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 1.17 0.00 0.00 12 Q 7.84 3.94 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 13 L 7.72 3.92 0.00 1.87 1.83 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.80 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.30 4.21 0.00 2.89 2.88 0.00 0.00 7.01 7.20 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 16 A 7.86 4.07 1.42 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 0.00 0.00 17 M 8.26 4.13 0.00 2.35 2.62 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 18 K 8.33 4.19 0.00 1.97 2.00 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.57 7.81 19 L 7.97 3.95 0.00 1.82 1.86 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.41 3.54 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.99 0.00 0.00 21 R 8.30 4.20 0.00 2.07 2.24 0.00 3.30 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 22 Q 8.34 3.97 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 23 Q 8.01 4.05 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.41 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 24 N 7.32 4.66 0.00 1.44 1.42 0.00 0.00 6.69 8.99 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 25 G 7.10 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.13 5.30 0.00 3.44 2.99 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 27 T 8.13 4.83 4.30 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 1.34 0.00 0.00 28 Q 8.63 4.09 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 29 S 8.04 4.21 0.00 4.05 4.30 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 30 E 8.27 3.89 0.00 2.22 1.98 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 2.37 2.45 0.00 31 L 7.79 3.70 0.00 1.95 1.67 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.15 3.94 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 33 K 8.28 3.96 0.00 2.05 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.55 7.81 34 K 7.93 4.14 0.00 1.82 1.69 0.00 1.13 0.00 0.00 1.26 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.24 7.81 35 I 7.37 4.28 1.80 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 1.25 0.80 0.87 0.00 0.00 36 G 8.78 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.27 4.64 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.89 0.00 0.00 38 K 8.22 4.22 0.00 1.85 1.77 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.42 7.81 39 Q 8.68 4.09 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 40 A 7.95 4.03 1.34 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 0.00 0.00 0.00 41 T 7.79 3.69 4.35 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 1.23 0.00 0.00 42 I 7.75 3.75 2.04 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 1.54 1.43 1.01 0.00 0.00 43 S 7.78 4.18 0.00 4.11 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 44 N 8.97 4.41 0.00 3.04 2.93 0.00 0.00 6.65 5.90 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 45 F 7.40 4.43 0.00 3.07 3.27 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 46 E 8.28 3.72 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 47 N 7.82 4.61 0.00 2.81 2.83 0.00 0.00 6.67 7.69 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 48 N 7.79 5.01 0.00 2.76 2.75 0.00 0.00 6.89 7.22 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 49 P 0.00 4.40 0.00 2.15 1.94 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 50 D 7.68 4.40 0.00 2.71 2.77 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 51 N 7.92 4.81 0.00 2.72 2.85 0.00 0.00 6.90 7.54 0.00 0.00 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 T 7.42 3.97 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 T 8.37 4.23 4.30 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 1.25 0.00 0.00 54 L 8.46 4.29 0.00 1.87 2.10 1.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.99 3.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 56 T 7.63 3.81 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 F 8.18 3.88 0.00 2.97 3.17 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 58 F 8.12 3.52 0.00 3.15 2.90 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 59 K 7.92 3.77 0.00 1.94 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.63 7.81 60 I 7.51 3.54 1.42 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.72 0.00 0.00 61 L 7.40 3.77 0.00 1.05 1.42 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.31 3.93 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 63 S 7.87 3.97 0.00 3.93 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 64 L 7.25 4.54 0.00 1.80 1.89 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.09 3.77 0.00 2.32 2.14 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 2.24 2.25 0.00 66 L 7.89 4.90 0.00 1.73 1.54 0.98 0.83 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 67 S 8.39 5.02 0.00 3.99 3.89 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 68 M 8.43 4.91 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.84 0.00 69 T 8.25 4.72 4.27 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 1.22 0.00 0.00 70 L 8.26 4.69 0.00 1.68 1.57 0.95 0.86 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 71 C 8.12 4.92 0.00 2.88 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 72 D 7.94 4.11 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 L 7.60 3.85 0.00 1.53 1.53 0.76 0.73 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 85 E 8.43 4.45 0.00 2.24 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 0.00 2.21 2.31 0.00 86 W 7.19 4.46 0.00 3.50 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 * Residues marked with a * may have inaccurate shift predictions.