NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 D 4.6008 8.3229 120.5306 54.4295 43.0082 177.9631 15 I 3.3660 7.7769 115.4641 61.2117 35.8792 177.4126 16 A 4.8388 8.0968 121.3979 51.0075 19.4459 175.4176 17 R 4.6683 7.7389 118.8001 55.0538 31.8622 178.7269 18 G 4.1850 8.4589 108.5491 48.5333 0.0000 176.0789 19 F 4.5575 8.0142 119.0165 60.0420 38.7219 176.9238 20 E 4.1996 8.4879 117.3536 58.2621 29.3846 178.6772 21 R 4.0044 7.6892 117.6768 56.4827 30.1877 176.5895 22 G 3.7011 7.8574 108.9302 47.2453 0.0000 174.1227 23 L 4.5509 7.2815 120.1029 52.3408 43.9299 178.5029 24 E 4.7662 8.3763 116.1353 56.0960 31.0900 175.1531 25 P 5.0381 0.0000 0.0000 62.5569 32.1692 175.1091 26 E 4.5279 8.8369 121.2722 57.2299 32.5610 175.7114 27 K 4.2350 7.2170 115.7258 55.4926 35.6833 173.8168 28 I 4.0364 8.3328 129.1813 60.7641 37.5239 175.6371 29 I 4.2965 8.4665 119.6627 59.5136 38.5794 175.2030 30 G 4.1069 7.0775 110.4227 47.1715 0.0000 171.1424 31 A 5.6738 7.7463 120.2294 51.7899 22.4770 175.1038 32 T 4.1077 7.9265 111.0092 62.0150 70.8593 171.8647 33 D 4.8035 8.8838 128.4950 53.8556 41.1351 177.6416 *34 S 4.0934 8.1420 120.4400 60.9652 62.6002 170.8179 *37 D 4.4601 7.8032 120.2073 53.2528 42.5600 174.5173 38 L 4.0568 8.5398 124.8151 56.3752 43.1045 175.6355 39 M 4.9603 8.9582 124.4352 53.4677 36.6082 174.1773 40 F 5.3845 8.6662 120.5716 55.5999 42.1449 174.7239 41 L 4.2129 8.8235 126.3346 54.8090 42.9626 174.8504 42 M 4.2609 8.2453 127.3837 53.5372 34.1290 174.5012 43 K 4.3180 8.3012 127.9091 55.1940 33.8797 175.5391 44 W 5.4432 8.0735 128.9879 55.6804 31.0519 177.2732 45 K 4.3288 8.8786 124.0354 55.7193 31.4898 178.8266 46 D 4.6815 9.1589 121.2404 54.0168 39.4197 173.6106 47 T 4.6426 7.6333 113.1548 60.2610 70.0626 174.3589 48 D 4.7757 8.4726 129.2323 53.1241 39.6835 175.2458 49 E 4.9851 7.6737 119.4435 54.8443 34.8449 175.0970 50 A 4.8121 8.4489 122.2813 50.9096 22.6534 175.0787 51 D 4.7996 8.6428 118.4557 52.5835 46.2246 175.0182 52 L 4.6579 8.4598 121.0052 55.2316 42.9692 176.5854 53 V 4.6364 8.2251 114.6183 59.5030 36.6044 174.6885 54 L 4.3370 8.4521 122.8989 54.1015 42.6237 178.0944 55 A 3.7622 8.1947 125.2594 54.9416 17.6909 179.7596 56 K 3.8077 8.0704 117.6677 59.8892 32.1904 178.3923 57 E 3.8827 8.2378 118.5461 59.3721 29.6761 178.4706 58 A 4.4215 8.6623 120.9429 55.0772 18.1909 179.2877 59 N 4.4035 8.4139 115.0377 56.6782 38.7196 177.3599 60 V 3.7856 7.2100 118.0830 65.6488 31.7542 177.6224 61 K 4.2271 7.9430 118.6188 57.8534 33.2865 176.7088 62 C 4.7712 8.3528 114.7011 54.9435 30.0375 172.4084 63 P 4.3833 0.0000 0.0000 66.7869 31.4335 178.4644 64 Q 4.0129 8.1013 117.3959 58.8567 28.5041 178.7820 65 I 3.7563 7.7225 120.3588 64.0480 37.1334 178.5945 66 V 3.3715 7.5106 119.3195 66.1668 31.5928 178.1813 67 I 3.9358 8.1976 119.5822 64.4559 36.6731 178.1995 68 A 4.1236 7.9552 120.6787 54.4743 18.3438 179.1888 69 F 4.2678 7.7548 119.8116 61.6698 39.2530 177.1956 70 Y 3.9461 7.5846 115.1413 60.7704 37.7157 177.7912 71 E 4.3882 8.0651 117.8464 57.0301 29.8008 176.7154 72 E 4.3011 7.9132 121.5581 57.0867 29.1257 176.9758 73 R 4.1244 8.2996 121.3073 56.7696 30.3084 171.6606 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 14 D 8.32 4.60 0.00 2.76 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 15 I 7.78 3.37 1.87 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 1.35 0.53 0.91 0.00 0.00 16 A 8.10 4.84 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.74 4.67 0.00 1.86 2.06 0.00 3.18 0.00 0.00 3.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 18 G 8.46 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 4.56 0.00 3.23 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.20 0.00 2.07 2.00 0.00 0.00 0.00 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 2.41 0.00 21 R 7.69 4.00 0.00 1.40 1.70 0.00 3.28 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 22 G 7.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.28 4.55 0.00 1.65 1.44 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.38 4.77 0.00 1.65 1.85 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 2.29 1.87 0.00 25 P 0.00 5.04 0.00 2.21 2.54 0.00 3.85 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 2.14 2.22 0.00 26 E 8.84 4.53 0.00 2.14 2.06 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 2.16 2.22 0.00 27 K 7.22 4.23 0.00 1.75 1.48 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.21 1.30 7.81 28 I 8.33 4.04 0.91 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.18 -0.29 0.00 0.00 29 I 8.47 4.30 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.51 0.80 0.00 0.00 30 G 7.08 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.75 5.67 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 4.11 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 1.18 0.00 0.00 33 D 8.88 4.80 0.00 2.70 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 *34 S 8.14 4.09 0.00 3.68 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 *37 D 7.80 4.46 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.54 4.06 0.00 1.72 1.45 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.96 4.96 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 40 F 8.67 5.38 0.00 2.73 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.82 4.21 0.00 1.63 1.40 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.25 4.26 0.00 1.14 1.40 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 43 K 8.30 4.32 0.00 1.67 1.65 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.33 7.81 44 W 8.07 5.44 0.00 3.24 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 45 K 8.88 4.33 0.00 1.68 1.71 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.26 7.81 46 D 9.16 4.68 0.00 2.87 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 47 T 7.63 4.64 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 1.43 0.00 0.00 48 D 8.47 4.78 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.99 0.00 2.06 1.99 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 2.36 2.37 0.00 50 A 8.45 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.64 4.80 0.00 2.82 2.59 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 52 L 8.46 4.66 0.00 1.71 1.52 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.23 4.64 1.54 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 0.03 0.00 0.00 0.77 0.00 0.00 54 L 8.45 4.34 0.00 1.75 1.56 0.94 0.70 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 55 A 8.19 3.76 0.69 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 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.07 3.81 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 57 E 8.24 3.88 0.00 2.21 2.35 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 2.55 2.48 0.00 58 A 8.66 4.42 1.72 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 59 N 8.41 4.40 0.00 2.98 3.01 0.00 0.00 6.97 8.54 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 60 V 7.21 3.79 2.21 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 0.79 0.00 0.00 0.96 0.00 0.00 61 K 7.94 4.23 0.00 1.43 1.29 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.11 1.18 7.81 62 C 8.35 4.77 0.00 3.11 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 63 P 0.00 4.38 0.00 2.33 2.52 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 64 Q 8.10 4.01 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 65 I 7.72 3.76 2.00 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 1.51 0.67 0.81 0.00 0.00 66 V 7.51 3.37 2.37 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 1.38 0.00 0.00 1.16 0.00 0.00 67 I 8.20 3.94 2.14 0.00 0.00 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 1.55 1.03 0.96 0.00 0.00 68 A 7.96 4.12 1.35 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 0.00 0.00 0.00 69 F 7.75 4.27 0.00 2.76 2.83 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 70 Y 7.58 3.95 0.00 3.01 2.85 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 71 E 8.07 4.39 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 72 E 7.91 4.30 0.00 1.82 1.85 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 2.25 2.36 0.00 73 R 8.30 4.12 0.00 1.94 1.75 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.00 * Residues marked with a * may have inaccurate shift predictions.