NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9077 8.3549 109.7364 45.2267 0.0000 172.9341 2 K 4.2323 8.4118 120.4029 52.7211 33.2863 174.6928 3 K 4.4902 8.2473 123.5218 55.0842 35.3643 176.8144 4 S 4.4590 8.2945 117.8867 57.4070 65.4996 175.2112 5 K 3.9002 8.4613 121.6975 59.4978 31.8642 178.4173 6 A 3.9790 7.9043 120.5061 55.5233 18.3861 179.3787 7 T 3.8008 7.7666 114.0669 66.7801 68.4455 176.6257 8 K 3.9367 8.1896 121.3314 59.4702 32.2354 178.9640 9 K 3.9693 8.0671 118.7181 59.4335 31.9445 179.5840 10 R 3.9196 8.1685 118.3058 59.3195 30.0445 179.0174 11 L 3.9775 8.3149 118.9255 57.7017 41.7234 179.3428 12 A 3.9840 8.2869 120.9652 55.0803 18.2809 179.5481 13 K 3.8551 8.0945 117.8500 59.8086 32.1110 178.8016 14 L 4.1232 7.7803 117.7549 58.0484 41.6695 178.8311 15 D 4.4620 8.2976 117.8984 57.3752 41.0656 177.8310 16 N 4.3992 8.0908 117.1605 56.4860 38.7283 176.9086 17 Q 4.0951 8.1136 118.8218 58.3156 28.8498 177.3114 18 N 4.5575 7.6220 116.5890 53.9467 39.2029 175.0060 19 S 4.3697 7.0160 114.0779 58.3733 64.0113 173.9929 20 R 4.0515 8.0968 121.3773 55.5171 30.5727 176.2340 21 V 3.5550 8.1012 122.2634 61.7550 31.7403 173.9266 22 P 4.0655 0.0000 0.0000 62.8335 31.7729 176.5420 23 A 3.9684 8.9433 124.0842 55.4158 18.5234 180.0333 24 W 4.3629 8.2284 112.8398 59.6710 27.9994 178.4546 25 V 3.3792 6.7998 118.8993 65.6138 30.7472 178.0639 26 M 3.9946 7.7563 118.2856 58.3173 31.4667 178.5799 27 L 4.0221 7.8911 118.6077 57.6014 41.6509 179.4026 28 K 4.0726 8.1054 118.5655 59.7816 32.4356 178.6156 29 T 4.0753 8.0169 107.0450 61.7367 69.7169 173.6454 30 D 4.2988 8.2188 119.6974 55.5701 38.9021 170.4835 31 R 3.6155 7.8197 123.4699 55.6586 31.1214 177.5887 *35 R 3.8976 8.2478 119.5913 56.3374 30.0405 174.0646 36 N 4.5163 7.8948 121.0973 51.8580 37.6720 175.2067 37 H 4.3453 8.2277 120.8591 57.3243 29.0991 176.2535 38 K 4.5529 7.5180 119.0226 55.8589 32.4820 176.6936 39 R 4.0749 7.6506 119.5693 56.0647 29.8916 176.3043 40 R 4.6003 8.4576 123.3268 54.4705 32.5591 174.1833 41 H 4.9888 8.3927 123.9538 53.6527 31.8953 175.0807 42 W 4.2117 8.6931 123.5529 59.6116 27.9000 177.2971 43 R 3.6885 5.8400 117.6216 58.2673 29.7959 177.4109 44 R 3.9092 7.7204 115.8282 58.5526 30.4391 176.2418 45 N 5.0109 7.6378 114.5729 52.1442 41.0113 173.0764 46 D 4.6150 8.2950 116.9563 54.1619 44.3057 175.7661 47 T 4.5493 8.2228 117.1069 60.5352 71.3634 173.3378 48 D 4.6566 8.3527 121.0288 54.4403 42.6714 176.4169 49 E 4.1171 8.6173 118.5283 57.0577 29.0610 174.8125 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 G 8.35 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 0.00 0.00 0.00 2 K 8.41 4.23 0.00 1.83 1.75 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 3 K 8.25 4.49 0.00 1.85 1.79 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.40 7.81 4 S 8.29 4.46 0.00 4.07 4.05 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 0.00 0.00 0.00 5 K 8.46 3.90 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.77 3.80 4.46 0.00 0.00 0.00 0.00 0.00 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 8 K 8.19 3.94 0.00 1.94 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.07 3.97 0.00 2.00 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.75 7.81 10 R 8.17 3.92 0.00 2.05 1.98 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 L 8.31 3.98 0.00 1.79 1.73 0.93 0.58 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 12 A 8.29 3.98 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 13 K 8.09 3.86 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.78 4.12 0.00 1.86 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.30 4.46 0.00 2.80 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 16 N 8.09 4.40 0.00 2.88 2.89 0.00 0.00 7.23 6.05 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 17 Q 8.11 4.10 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 18 N 7.62 4.56 0.00 2.84 2.86 0.00 0.00 7.21 8.27 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 19 S 7.02 4.37 0.00 3.97 3.85 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 20 R 8.10 4.05 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 V 8.10 3.56 1.97 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 0.68 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.07 0.00 1.41 2.07 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 23 A 8.94 3.97 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 24 W 8.23 4.36 0.00 3.58 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.80 3.38 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 0.89 0.00 0.00 -0.31 0.00 0.00 26 M 7.76 3.99 0.00 2.07 2.22 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 2.57 2.63 0.00 27 L 7.89 4.02 0.00 1.93 1.78 0.99 0.84 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 28 K 8.11 4.07 0.00 2.06 2.04 0.00 2.13 0.00 0.00 2.03 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.56 7.81 29 T 8.02 4.08 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 1.28 0.00 0.00 30 D 8.22 4.30 0.00 2.88 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 31 R 7.82 3.62 0.00 1.98 1.93 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.25 3.90 0.00 1.73 1.76 0.00 3.22 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 36 N 7.89 4.52 0.00 2.65 2.67 0.00 0.00 7.09 7.89 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 37 H 8.23 4.35 0.00 3.16 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.52 4.55 0.00 1.70 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 39 R 7.65 4.07 0.00 1.76 1.90 0.00 3.10 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 40 R 8.46 4.60 0.00 1.75 1.80 0.00 3.23 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 41 H 8.39 4.99 0.00 3.14 2.99 0.00 5.93 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 42 W 8.69 4.21 0.00 3.51 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 43 R 5.84 3.69 0.00 0.67 1.14 0.00 2.57 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 44 R 7.72 3.91 0.00 1.75 1.90 0.00 3.32 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 45 N 7.64 5.01 0.00 2.98 2.77 0.00 0.00 6.75 7.68 0.00 0.00 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 D 8.29 4.62 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.22 4.55 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 1.24 0.00 0.00 48 D 8.35 4.66 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.12 0.00 2.15 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 0.00 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.