NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9056 8.3549 109.7358 45.2742 0.0000 172.8179 2 K 4.2926 8.2643 117.6063 52.4764 34.5068 174.6188 3 K 4.4088 8.3689 124.1962 55.4272 35.2019 177.0886 4 S 4.4863 8.2510 117.2413 57.3487 65.6228 175.2745 5 K 3.8921 8.4339 121.3588 59.5112 31.9288 178.3399 6 A 3.9549 7.9112 120.4930 55.5496 18.3476 179.2942 7 T 3.8224 8.0095 114.3536 66.9221 68.5481 176.5700 8 K 3.9293 8.0941 121.2288 59.3986 32.0858 179.0362 9 K 3.9955 8.0197 118.8213 59.4790 31.9499 179.5839 10 R 3.9146 8.0911 118.3097 59.1992 30.0032 179.0202 11 L 3.9654 8.2931 118.9125 57.7038 41.5646 179.4265 12 A 3.9694 8.1042 120.5603 55.0311 18.2844 179.3295 13 K 3.7847 8.2038 118.2798 59.8939 32.0015 178.6667 14 L 4.2420 7.7740 118.9721 57.3184 41.7227 178.7535 15 D 4.4745 8.1634 117.8149 57.3544 40.9281 177.8901 16 N 4.3274 8.1057 116.7001 56.8013 38.8388 176.7423 17 Q 4.1828 8.4836 119.5193 58.3325 28.3931 177.3199 18 N 4.7324 7.5394 116.6986 53.1625 39.1576 174.5335 19 S 4.5831 7.3224 113.6044 56.3065 65.0076 173.2901 20 R 4.2128 7.9878 120.5440 54.8512 30.8337 175.7184 21 V 3.5862 8.0455 121.8735 61.5671 31.9343 173.9330 22 P 4.0510 0.0000 0.0000 63.1417 31.5752 176.7170 23 A 3.9543 8.8204 122.9645 55.3387 18.1118 180.1173 24 W 4.2522 8.0626 114.5028 59.6631 28.2352 178.5345 25 V 3.2399 6.6448 118.5427 65.4289 30.6258 178.0903 26 M 3.9480 7.7746 118.7734 58.2973 31.8662 178.4573 27 L 3.9693 7.8612 118.4607 57.7052 41.7283 179.0305 28 K 3.8629 8.1388 119.0187 59.8462 32.0402 177.6217 29 T 4.1512 7.8670 105.0076 61.3584 69.6692 174.0065 30 D 4.2795 8.9396 121.8475 56.0399 38.6778 170.7952 31 R 3.5091 8.2803 121.8836 55.7866 31.2795 176.9936 *35 R 3.9291 8.3337 119.6632 56.1476 31.3589 175.3695 36 N 4.5801 8.1442 121.2879 51.7405 37.8434 174.5707 37 H 4.2285 8.2273 121.5259 57.7835 29.1093 176.4687 38 K 4.4919 7.6827 117.2288 55.8812 32.0386 176.4593 39 R 3.9638 7.9932 119.5565 56.4856 30.1244 176.2302 40 R 4.6834 8.4532 122.6064 54.4876 33.1299 173.9075 41 H 5.0171 8.2912 122.0148 53.5394 32.4136 174.7331 42 W 4.2081 8.5927 123.2577 59.5317 28.0896 177.3942 43 R 3.7212 5.8400 117.7472 58.4954 29.6919 177.5957 44 R 3.8760 7.7161 115.3788 58.2759 30.2181 176.0955 45 N 4.9395 7.7218 114.0802 51.2940 41.1535 173.2115 46 D 4.5976 8.1896 117.6542 53.1315 43.6654 175.1312 47 T 4.3491 8.3495 116.8922 60.5135 70.4714 173.6086 48 D 4.5692 8.1889 121.5152 54.7021 41.8514 176.7736 49 E 4.1304 8.6489 118.7395 56.9600 28.9532 174.8565 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 8.26 4.29 0.00 1.78 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.37 4.41 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.25 4.49 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.89 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.91 3.95 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 8.01 3.82 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 1.24 0.00 0.00 8 K 8.09 3.93 0.00 2.01 2.03 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.02 4.00 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.72 7.81 10 R 8.09 3.91 0.00 2.03 1.98 0.00 3.42 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 L 8.29 3.97 0.00 1.83 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.10 3.97 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 13 K 8.20 3.78 0.00 1.83 2.01 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 L 7.77 4.24 0.00 1.87 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.16 4.47 0.00 2.81 2.87 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 16 N 8.11 4.33 0.00 2.76 2.97 0.00 0.00 7.29 6.85 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 17 Q 8.48 4.18 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 18 N 7.54 4.73 0.00 2.97 2.84 0.00 0.00 7.13 8.93 0.00 0.00 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 7.32 4.58 0.00 4.04 3.87 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 20 R 7.99 4.21 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 21 V 8.05 3.59 1.96 0.00 0.00 0.00 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 0.83 0.00 0.00 22 P 0.00 4.05 0.00 1.38 2.10 0.00 3.53 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 1.34 1.73 0.00 23 A 8.82 3.95 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 24 W 8.06 4.25 0.00 3.61 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 6.64 3.24 1.73 0.00 0.00 0.00 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 -0.52 0.00 0.00 26 M 7.77 3.95 0.00 2.06 2.23 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 2.56 2.83 0.00 27 L 7.86 3.97 0.00 1.79 1.77 0.99 0.84 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 28 K 8.14 3.86 0.00 2.01 2.02 0.00 2.06 0.00 0.00 2.09 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.51 7.81 29 T 7.87 4.15 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 1.26 0.00 0.00 30 D 8.94 4.28 0.00 2.75 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 31 R 8.28 3.51 0.00 1.91 1.91 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *35 R 8.33 3.93 0.00 1.71 1.82 0.00 3.24 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 36 N 8.14 4.58 0.00 2.64 2.66 0.00 0.00 7.21 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 4.23 0.00 3.17 3.35 0.00 5.75 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 7.68 4.49 0.00 1.70 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 39 R 7.99 3.96 0.00 1.85 1.89 0.00 3.15 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 40 R 8.45 4.68 0.00 1.74 1.79 0.00 3.20 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.29 5.02 0.00 3.11 2.96 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 8.59 4.21 0.00 3.52 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 3.72 0.00 0.67 1.17 0.00 2.52 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 0.00 44 R 7.72 3.88 0.00 1.76 1.91 0.00 3.31 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 45 N 7.72 4.94 0.00 2.93 2.75 0.00 0.00 6.68 7.34 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 46 D 8.19 4.60 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.35 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 8.19 4.57 0.00 2.70 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 8.65 4.13 0.00 2.14 2.07 0.00 0.00 0.00 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 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.