NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1238 0.0000 0.0000 62.9402 31.7433 171.9569 3 K 3.6334 8.7514 132.5221 55.1057 30.8632 174.3387 4 M 4.2658 9.1947 127.4968 55.2979 33.5528 175.5934 5 K 4.5703 8.1773 120.5427 54.6365 34.1640 176.8659 6 T 4.1136 8.1921 113.2489 61.7224 69.6790 174.6793 7 H 4.4491 8.5934 123.5930 55.1098 29.8549 175.9865 8 K 3.9907 8.5354 129.2285 59.5886 31.7917 179.0692 9 G 3.8219 8.0316 103.9488 47.7522 0.0000 175.0189 10 A 4.2249 8.1041 122.0887 54.8099 18.7288 179.1835 11 K 3.9269 7.8519 116.7725 59.7276 32.2715 178.3282 12 K 4.3646 8.2588 115.9257 57.2871 31.9920 177.8593 13 R 4.6605 8.2984 113.0768 56.0316 32.1643 174.4024 14 V 4.7804 7.4140 117.0617 60.5946 35.2438 174.0824 15 K 4.7658 8.6942 120.7041 54.8533 35.9001 174.5699 16 I 4.7578 8.3079 120.5235 59.7821 38.6322 177.0428 17 T 4.3211 8.7553 121.3792 61.8986 69.0021 174.8859 18 A 4.4646 8.5770 118.5893 53.8453 20.4928 178.5810 19 S 4.2959 7.9912 108.9561 59.0047 63.7051 173.3527 20 G 3.5831 7.6024 106.4148 46.1492 0.0000 173.6091 21 K 4.4160 8.4627 118.0679 54.3358 36.0266 177.3486 22 V 4.4668 7.9274 123.5930 61.8345 33.5447 174.5923 23 V 5.0430 9.0522 126.9653 60.1320 34.5850 174.1126 24 A 5.2266 8.4955 127.6925 50.0847 23.4311 174.4433 25 M 4.5364 8.5560 118.8895 55.3149 33.1386 176.3263 26 K 4.5576 7.9160 120.0381 55.8830 33.3328 177.2427 27 T 4.4048 9.6160 113.5837 60.5833 70.3578 173.5139 28 G 3.5038 7.7604 117.1557 45.0518 0.0000 173.1635 29 K 4.7254 7.3561 119.1982 55.3769 35.2565 174.4461 30 R 4.2464 8.8119 126.5844 54.5380 31.3136 174.8891 31 H 5.3542 8.1555 126.8932 56.2469 27.3645 176.4532 32 L 4.2796 7.4257 121.2547 57.5196 41.8423 177.3266 33 N 4.6872 7.5193 114.9610 52.2463 39.0103 175.3421 34 W 4.9489 8.2026 129.1589 56.1379 27.2372 174.0445 35 Q 5.0290 6.2660 129.6742 55.4831 29.7979 172.4485 36 K 4.2473 7.4493 122.4210 53.6175 35.7017 176.5602 37 S 3.8805 8.7255 117.1449 58.7433 63.0184 175.6265 38 G 3.8258 8.9105 112.4514 47.3804 0.0000 174.9398 39 K 3.8655 7.8786 120.5734 60.4476 32.4493 177.5676 40 E 3.7087 8.7054 117.9530 59.2834 28.9743 179.1259 41 I 3.1763 7.6805 125.0574 64.8862 37.7543 177.7110 42 R 4.0529 7.5900 118.8525 58.8191 30.9595 177.7662 43 Q 4.4659 8.8630 119.3581 55.2253 27.8447 178.0226 44 K 4.6285 7.5779 118.5456 54.1994 33.2815 176.9882 45 G 4.3034 7.5982 114.1142 44.7421 0.0000 170.0966 46 R 4.7757 8.4489 121.2290 55.4173 31.6743 176.1863 47 K 4.7284 8.4567 119.5071 55.5160 34.8049 174.2179 48 F 5.3898 8.3358 112.0273 53.8048 41.6532 176.3173 49 V 3.7876 10.0852 112.8813 62.5026 30.9314 171.8538 50 L 4.1687 7.8312 123.2006 57.4447 42.6045 172.8451 51 A 5.2674 8.7186 133.0002 53.5082 15.5556 179.7783 52 K 4.0622 7.8633 116.4490 58.4791 32.0312 177.7667 53 P 4.2570 0.0000 0.0000 65.6780 31.6156 177.9581 54 E 3.9031 8.2325 117.9009 59.3154 29.2942 178.9712 55 A 4.0175 7.7265 120.2380 54.9436 18.3835 178.9131 56 E 3.9244 8.4431 115.9986 57.9281 30.0446 177.7384 57 R 4.5318 7.8267 116.1995 57.0175 31.5388 177.1131 58 I 3.7903 7.9453 119.0152 64.2071 37.4132 177.1877 59 K 4.1765 8.0543 118.3008 57.9411 32.6497 176.5394 60 L 4.7498 7.1433 120.8571 53.0951 39.4802 175.5685 61 L 4.1643 7.0163 120.9311 56.8785 41.7606 178.9604 62 L 3.7157 7.7323 124.2122 55.6689 42.5388 176.6626 63 P 4.5455 0.0000 0.0000 60.5214 29.8029 173.5765 64 Y 4.2801 7.4618 123.1091 59.0489 39.2566 177.7748 *65 E 4.1515 8.4984 115.2949 56.4225 30.5285 173.8990 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 2 P 0.00 4.12 0.00 2.05 2.10 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 3 K 8.75 3.63 0.00 1.97 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.50 7.81 4 M 9.19 4.27 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 5 K 8.18 4.57 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 6 T 8.19 4.11 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 1.18 0.00 0.00 7 H 8.59 4.45 0.00 3.25 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.54 3.99 0.00 1.82 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 9 G 8.03 3.82 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 0.00 0.00 0.00 10 A 8.10 4.22 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 11 K 7.85 3.93 0.00 1.79 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 12 K 8.26 4.36 0.00 1.78 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.68 7.81 13 R 8.30 4.66 0.00 1.82 1.97 0.00 3.04 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 14 V 7.41 4.78 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 0.77 0.00 0.00 0.98 0.00 0.00 15 K 8.69 4.77 0.00 1.86 1.64 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 16 I 8.31 4.76 1.87 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 1.43 0.64 0.91 0.00 0.00 17 T 8.76 4.32 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 1.25 0.00 0.00 18 A 8.58 4.46 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 19 S 7.99 4.30 0.00 3.83 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 20 G 7.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.46 4.42 0.00 1.36 0.83 0.00 1.62 0.00 0.00 1.01 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 1.18 7.81 22 V 7.93 4.47 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 0.95 0.00 0.00 0.94 0.00 0.00 23 V 9.05 5.04 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 1.41 0.00 0.00 1.06 0.00 0.00 24 A 8.50 5.23 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 25 M 8.56 4.54 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 26 K 7.92 4.56 0.00 1.75 1.73 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 27 T 9.62 4.40 4.25 0.00 0.00 0.00 0.00 0.00 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 28 G 7.76 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 4.73 0.00 1.83 1.73 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.46 7.81 30 R 8.81 4.25 0.00 1.98 2.24 0.00 3.46 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 31 H 8.16 5.35 0.00 3.45 3.66 0.00 5.46 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 32 L 7.43 4.28 0.00 1.69 1.83 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.52 4.69 0.00 2.79 2.75 0.00 0.00 6.90 7.55 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 34 W 8.20 4.95 0.00 3.44 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 35 Q 6.27 5.03 0.00 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 36 K 7.45 4.25 0.00 1.58 1.58 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.26 7.81 37 S 8.73 3.88 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 3.83 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 0.00 0.00 0.00 39 K 7.88 3.87 0.00 1.73 1.82 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 40 E 8.71 3.71 0.00 2.10 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 2.32 2.34 0.00 41 I 7.68 3.18 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.40 0.89 0.00 0.00 42 R 7.59 4.05 0.00 1.98 2.11 0.00 3.24 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 1.62 1.65 0.00 43 Q 8.86 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 44 K 7.58 4.63 0.00 1.79 1.71 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 45 G 7.60 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 0.00 0.00 0.00 46 R 8.45 4.78 0.00 1.80 1.90 0.00 3.21 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 47 K 8.46 4.73 0.00 1.98 1.90 0.00 1.31 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.68 7.81 48 F 8.34 5.39 0.00 2.93 2.81 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 49 V 10.09 3.79 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 0.67 0.00 0.00 0.97 0.00 0.00 50 L 7.83 4.17 0.00 1.54 1.56 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.72 5.27 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 52 K 7.86 4.06 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.44 7.81 53 P 0.00 4.26 0.00 2.20 2.25 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 54 E 8.23 3.90 0.00 2.06 2.05 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 2.39 2.43 0.00 55 A 7.73 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 3.92 0.00 2.02 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 0.00 2.32 2.37 0.00 57 R 7.83 4.53 0.00 1.91 2.05 0.00 3.15 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 58 I 7.95 3.79 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 1.82 0.92 0.91 0.00 0.00 59 K 8.05 4.18 0.00 1.80 1.87 0.00 1.47 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.43 7.81 60 L 7.14 4.75 0.00 1.58 1.62 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.02 4.16 0.00 1.67 1.76 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.73 3.72 0.00 1.56 1.69 0.90 0.89 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 63 P 0.00 4.55 0.00 2.16 2.05 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 64 Y 7.46 4.28 0.00 2.99 2.86 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 *65 E 8.50 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.