NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4183 8.1627 118.1899 55.2051 32.7804 176.4665 2 Q 3.9182 7.7655 121.0219 58.9674 29.7643 174.7733 3 L 3.9178 7.9313 120.0465 57.6419 42.2251 178.9303 4 V 3.6699 7.6787 117.7911 65.8858 31.2639 177.9685 5 L 3.9823 7.2103 117.9384 57.2958 41.7976 178.9823 6 A 3.8147 7.9511 120.7061 55.0936 18.4682 179.5063 7 A 4.0948 8.3887 118.8779 54.2924 18.3081 179.6019 8 K 4.0156 7.6116 117.3656 59.3945 32.1006 178.3057 9 Y 4.2463 7.8741 116.5126 60.4286 37.9920 177.9422 10 I 3.8779 7.8260 120.6036 64.2798 37.0870 178.3711 11 G 3.6665 8.2874 106.3989 47.8806 0.0000 175.5066 12 A 4.1377 7.7166 122.3518 54.6308 18.5798 179.6394 13 G 3.6643 7.8900 104.6329 47.8617 0.0000 176.2091 14 I 3.8051 8.1818 122.3882 64.1262 37.2064 178.5282 15 S 4.2310 7.8861 115.5840 61.1889 62.6454 176.1508 16 T 4.2650 7.7236 118.1516 65.4164 68.2647 176.6728 17 I 3.9577 7.6416 122.3152 63.8151 36.9510 178.2993 18 G 3.7181 7.7990 105.3733 47.2860 0.0000 175.5131 19 L 4.1840 7.8786 120.3686 56.7950 41.4918 178.7198 20 L 4.1015 7.8251 120.9704 58.2692 41.9142 179.2977 21 G 3.5751 8.0161 105.0345 47.7442 0.0000 175.7032 22 A 4.2164 8.0366 122.9636 54.4074 18.6484 179.9184 23 G 3.5066 8.6010 104.9038 48.2399 0.0000 176.1802 24 I 3.9966 7.7072 122.9089 63.5496 36.9121 178.6324 25 G 3.7712 8.1941 106.7553 48.0403 0.0000 175.6771 26 I 3.9345 7.8319 122.3711 63.9031 37.0996 178.1389 27 A 4.0572 7.6208 120.3946 55.5015 18.2981 179.5926 28 I 3.6813 7.8735 118.0047 64.6477 37.3099 178.9060 29 V 3.5990 7.6507 118.8944 66.1879 31.4487 178.1976 30 F 3.9754 8.5672 117.3087 60.1304 38.6712 177.6586 31 A 4.0372 8.5971 120.9211 55.2413 18.2914 179.5842 32 A 4.0733 8.0136 118.6418 54.5686 18.1682 179.7021 33 L 3.9002 7.7351 119.5899 58.2465 42.0752 179.0730 34 I 3.8631 7.9311 113.0763 63.8452 37.4467 177.9783 35 N 4.4705 8.1671 117.9084 56.1376 38.5428 177.3593 36 G 3.7121 8.3513 107.1663 47.2608 0.0000 175.2111 37 V 4.0094 7.5513 118.7582 63.9633 31.5762 177.1294 38 S 4.3823 7.5867 112.8210 60.0187 62.9080 174.3635 39 R 4.4363 7.1241 118.7404 54.4333 32.1718 176.5404 40 N 4.1407 7.4753 115.2544 52.6263 38.0216 171.4748 41 P 4.6111 0.0000 0.0000 63.8961 32.4039 176.3776 42 S 4.4817 7.6561 116.6432 56.3717 62.3391 173.9380 43 I 3.6006 7.7671 123.2867 64.5521 37.6103 175.8660 44 K 4.0980 8.4361 117.6660 57.1905 33.6466 175.3354 45 D 4.8402 8.7531 122.5421 55.9037 40.0088 171.2598 46 T 3.4556 7.7597 119.4419 64.4514 67.3476 173.9674 47 V 3.9461 7.3238 121.5610 65.4859 31.8168 178.3579 48 F 4.1665 7.8215 120.5710 60.5374 39.0795 175.5039 49 P 4.2651 0.0000 0.0000 65.8104 31.0466 178.4163 50 M 4.0336 7.5829 114.3808 58.0410 31.9891 178.6241 51 A 3.4112 7.5896 120.9729 54.7950 18.3672 179.5555 52 I 3.8481 7.0662 117.1795 63.8978 37.3559 178.1833 53 L 4.0741 7.6147 121.5424 57.8929 41.3446 179.2509 54 G 3.6046 8.8813 106.8779 47.4228 0.0000 175.6398 55 F 4.2940 8.1703 122.3260 60.9766 39.5555 177.0702 56 A 3.3850 8.0450 120.3749 55.0838 18.0634 179.5370 57 L 4.0308 7.4918 114.5762 56.7273 41.6452 178.4953 58 S 4.4957 7.4975 111.5615 58.8335 63.0961 174.4651 59 E 4.0095 7.8055 120.2982 56.7824 29.3304 177.2820 60 A 3.9254 7.6829 120.1100 55.2633 17.9656 179.8211 61 T 4.0307 7.4894 114.8021 66.8485 68.5413 177.0875 62 G 3.6363 7.9134 107.1256 47.8228 0.0000 175.5255 63 L 4.0373 7.9169 121.2504 57.2657 41.4780 178.9902 64 F 4.8162 7.7372 115.7140 59.2629 39.1959 176.2541 65 C 4.5027 7.6939 118.0300 61.0696 32.2202 175.0624 66 L 4.3025 8.3973 122.0169 57.7139 41.5528 178.5723 67 M 4.1421 7.8310 117.7454 58.7168 32.0731 178.3207 68 V 3.6866 7.8951 118.2651 65.7480 31.5426 178.0231 69 S 4.1965 7.7156 112.2210 61.4184 62.9088 176.2707 70 F 4.2754 8.7391 121.2325 59.7228 38.1308 177.5414 71 L 4.1853 8.4968 120.8392 57.8492 41.7347 178.0150 72 L 4.4878 7.4898 115.7181 54.9464 41.8810 177.0720 73 L 4.2659 7.0972 116.9500 54.0514 42.5004 176.3944 74 F 4.6742 7.6772 117.4404 55.9976 42.7262 174.7619 *75 G 3.7274 8.7310 113.7688 45.8152 0.0000 172.2021 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 M 8.16 4.42 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 2 Q 7.77 3.92 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 3 L 7.93 3.92 0.00 1.69 1.67 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.68 3.67 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 1.06 0.00 0.00 0.91 0.00 0.00 5 L 7.21 3.98 0.00 1.59 1.35 0.86 0.70 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 6 A 7.95 3.81 1.24 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 0.00 0.00 0.00 7 A 8.39 4.09 1.36 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 0.00 0.00 8 K 7.61 4.02 0.00 2.23 2.12 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.81 1.52 7.81 9 Y 7.87 4.25 0.00 3.08 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 10 I 7.83 3.88 1.89 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 1.59 0.75 0.92 0.00 0.00 11 G 8.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.72 4.14 1.24 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 0.00 0.00 0.00 13 G 7.89 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.18 3.81 1.88 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 1.68 0.93 0.92 0.00 0.00 15 S 7.89 4.23 0.00 4.06 3.96 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 0.00 0.00 0.00 0.00 16 T 7.72 4.27 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 1.24 0.00 0.00 17 I 7.64 3.96 2.00 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 1.46 1.16 0.92 0.00 0.00 18 G 7.80 3.72 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 0.00 0.00 0.00 19 L 7.88 4.18 0.00 1.84 1.75 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.83 4.10 0.00 1.81 1.78 0.93 1.45 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 21 G 8.02 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 22 A 8.04 4.22 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 23 G 8.60 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 4.00 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.90 0.94 0.00 0.00 25 G 8.19 3.77 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 0.00 0.00 0.00 26 I 7.83 3.93 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.06 1.12 0.00 0.00 27 A 7.62 4.06 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 28 I 7.87 3.68 2.06 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 1.44 1.14 0.94 0.00 0.00 29 V 7.65 3.60 2.19 0.00 0.00 0.00 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 0.97 0.00 0.00 30 F 8.57 3.98 0.00 3.19 3.12 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 0.00 0.00 0.00 31 A 8.60 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.07 1.39 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 0.00 0.00 0.00 33 L 7.74 3.90 0.00 1.74 1.76 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.93 3.86 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.68 1.07 0.00 0.00 35 N 8.17 4.47 0.00 2.88 2.93 0.00 0.00 6.99 7.46 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 36 G 8.35 3.71 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 0.00 0.00 0.00 37 V 7.55 4.01 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 1.02 0.00 0.00 0.97 0.00 0.00 38 S 7.59 4.38 0.00 3.95 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 39 R 7.12 4.44 0.00 1.76 1.92 0.00 3.33 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 40 N 7.48 4.14 0.00 2.80 2.85 0.00 0.00 6.90 8.16 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 41 P 0.00 4.61 0.00 2.16 2.15 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 42 S 7.66 4.48 0.00 4.18 4.07 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 0.00 0.00 0.00 43 I 7.77 3.60 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.03 0.92 0.00 0.00 44 K 8.44 4.10 0.00 1.60 1.64 0.00 1.21 0.00 0.00 1.36 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.51 7.81 45 D 8.75 4.84 0.00 2.87 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 46 T 7.76 3.46 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 1.22 0.00 0.00 47 V 7.32 3.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 48 F 7.82 4.17 0.00 3.21 3.05 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 49 P 0.00 4.27 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 50 M 7.58 4.03 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 51 A 7.59 3.41 0.92 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 0.00 0.00 52 I 7.07 3.85 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.03 0.94 0.00 0.00 53 L 7.61 4.07 0.00 1.85 1.80 0.90 0.98 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 54 G 8.88 3.60 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 0.00 0.00 0.00 55 F 8.17 4.29 0.00 3.35 3.34 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 56 A 8.05 3.38 1.28 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 0.00 0.00 0.00 57 L 7.49 4.03 0.00 1.59 1.71 0.90 1.07 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 58 S 7.50 4.50 0.00 4.00 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 59 E 7.81 4.01 0.00 1.63 1.44 0.00 0.00 0.00 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 60 A 7.68 3.93 1.26 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 0.00 0.00 0.00 61 T 7.49 4.03 4.42 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 1.24 0.00 0.00 62 G 7.91 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.04 0.00 1.47 1.51 0.76 1.03 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 64 F 7.74 4.82 0.00 3.17 2.98 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 65 C 7.69 4.50 0.00 3.37 3.04 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 66 L 8.40 4.30 0.00 1.99 1.67 1.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.83 4.14 0.00 2.32 2.41 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 2.65 2.65 0.00 68 V 7.90 3.69 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 1.07 0.00 0.00 1.03 0.00 0.00 69 S 7.72 4.20 0.00 4.26 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 70 F 8.74 4.28 0.00 3.41 3.37 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 71 L 8.50 4.19 0.00 2.10 1.74 1.08 0.94 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 72 L 7.49 4.49 0.00 1.73 1.84 0.97 1.18 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 73 L 7.10 4.27 0.00 0.86 0.48 0.43 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.68 4.67 0.00 3.19 2.93 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 0.00 0.00 0.00 0.00 *75 G 8.73 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.