NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0085 8.3544 109.7360 44.9407 0.0000 173.6865 5 K 3.6925 8.9361 124.7588 56.8278 30.4564 174.7355 6 E 4.4440 10.1297 118.4770 55.1562 32.8936 173.7494 7 L 5.2645 8.5026 126.2013 53.2369 44.7441 175.7445 8 V 4.9979 8.8647 115.2320 59.4639 36.2299 174.3053 9 L 4.9769 8.7650 124.5525 52.9130 44.4230 175.4149 10 A 4.3063 9.2082 129.6870 52.8592 18.7719 177.7912 11 L 3.9414 9.4887 123.9998 57.6131 42.1145 177.2588 12 Y 4.7272 7.8439 112.9161 55.5508 41.4301 175.1276 13 D 4.8302 8.5568 120.9378 55.0129 41.7388 175.4930 14 Y 4.8459 9.2359 122.1398 56.3996 42.4847 173.2678 15 Q 4.8518 7.6048 127.6506 54.0121 30.9314 174.7813 16 E 4.4443 8.8255 124.6708 56.5017 30.0833 176.8468 17 K 4.5322 9.2318 119.6198 55.9596 34.5616 176.3586 18 S 4.6348 7.4631 113.0599 55.4529 66.0016 173.2271 19 P 4.2410 0.0000 0.0000 65.5520 31.2393 177.5607 20 R 4.3255 7.8663 112.5244 56.5063 29.9481 175.2582 21 E 5.1113 8.1136 118.9680 55.3770 31.3097 175.4783 22 V 4.4204 8.3211 122.6533 61.7418 33.4057 175.2182 23 T 4.8381 8.5337 124.2017 63.0699 69.6583 173.7422 24 M 5.0674 9.8446 123.6955 53.5144 35.4482 174.2716 25 K 5.0295 8.6044 116.4282 53.9467 36.2752 175.9333 26 K 4.2462 9.5407 123.2674 57.3443 32.5629 176.1010 27 G 4.1230 8.4236 116.4132 46.1351 0.0000 174.5072 28 D 4.5026 8.0332 120.0092 54.8354 41.9900 175.9041 29 I 4.9212 8.3656 123.2331 59.6262 39.1331 174.9512 30 L 4.9095 8.5367 126.5188 52.9692 45.4201 176.0039 31 T 4.5277 8.5394 119.6658 63.3428 69.6922 173.6176 32 L 4.5035 8.9469 129.3856 54.8758 42.2869 176.2474 33 L 4.6159 8.6234 125.2228 55.2248 44.3076 176.3769 34 N 4.4097 7.5094 114.0673 52.3325 42.3479 174.9938 35 S 3.7204 8.4488 122.0517 57.8958 63.4173 174.9119 36 T 4.2101 7.9667 112.2702 63.6122 69.4295 174.4574 37 N 4.8053 8.0524 120.4226 52.7649 40.0993 174.6743 38 K 4.2740 8.8542 125.4095 59.9052 32.9201 177.8273 39 D 4.3845 8.4565 117.9618 56.1141 41.9510 176.3388 40 W 5.2741 9.3161 116.6738 54.5814 32.1208 175.3410 41 W 5.4337 9.1594 122.8716 54.8527 32.5434 174.5169 42 K 4.2571 8.8031 125.0887 56.0122 33.1758 176.1647 43 V 4.8887 8.7581 120.1933 59.5533 36.7653 173.6949 44 E 4.8358 9.1601 121.4101 55.0510 32.2471 174.4886 45 V 4.1980 8.3578 127.3703 63.6381 34.1434 178.9668 46 N 3.5027 8.8655 119.4406 53.3553 40.9825 174.0873 47 D 4.8991 7.3036 122.2963 53.1308 42.9350 175.9148 48 R 4.7894 9.2505 118.9748 54.4906 34.3973 176.4307 49 Q 4.9093 8.3842 120.9793 54.5531 32.4260 174.7243 50 G 4.0013 8.2525 109.5746 46.1880 0.0000 171.5782 51 F 5.5203 8.8654 118.0888 55.9797 41.9370 175.8655 52 V 4.8510 8.9525 114.1406 58.6706 36.5713 173.2233 53 P 3.7543 0.0000 0.0000 62.4549 31.7702 176.5237 54 A 2.6408 8.8012 127.2801 54.9303 18.1096 179.5938 55 A 3.9016 7.5710 115.9760 54.9422 18.6074 177.7167 56 Y 4.4040 8.3327 112.7782 58.5057 38.4344 175.2860 57 V 5.0908 7.5717 112.5088 59.4912 36.0899 174.5690 58 K 4.7511 8.7636 124.0190 54.4919 35.1353 174.9573 59 K 4.8339 8.8508 127.6651 56.0558 33.1265 175.6671 60 L 4.9314 9.5801 125.8092 52.5834 44.3299 176.0678 61 D 5.1155 8.9713 132.1889 54.8552 40.3208 175.6685 *74 P 3.5468 0.0000 0.0000 60.1901 33.1610 172.6696 75 P 3.6766 0.0000 0.0000 60.4439 28.9817 171.9119 76 P 4.3478 0.0000 0.0000 62.8179 32.0167 176.5856 77 V 4.1355 8.1353 115.2456 58.9794 32.7493 175.5122 78 P 4.4752 0.0000 0.0000 61.8233 32.0323 173.5157 79 P 4.6274 0.0000 0.0000 62.2770 33.6193 174.5381 80 Y 4.3282 8.1215 116.1737 56.7706 39.2992 174.1460 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 4 G 8.35 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 3.69 0.00 1.79 1.41 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.47 7.81 6 E 10.13 4.44 0.00 2.09 1.75 0.00 0.00 0.00 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 7 L 8.50 5.26 0.00 1.64 1.55 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.86 5.00 2.24 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 0.87 0.00 0.00 1.09 0.00 0.00 9 L 8.77 4.98 0.00 1.74 1.54 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.21 4.31 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 L 9.49 3.94 0.00 1.78 1.72 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.84 4.73 0.00 2.50 2.72 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 13 D 8.56 4.83 0.00 2.77 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 14 Y 9.24 4.85 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 4.85 0.00 1.89 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 16 E 8.83 4.44 0.00 2.09 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 0.00 2.29 2.29 0.00 17 K 9.23 4.53 0.00 1.89 1.70 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.36 7.81 18 S 7.46 4.63 0.00 3.88 3.59 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 19 P 0.00 4.24 0.00 2.03 2.15 0.00 3.59 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 2.00 2.06 0.00 20 R 7.87 4.33 0.00 2.12 2.08 0.00 2.48 0.00 0.00 2.93 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 21 E 8.11 5.11 0.00 1.99 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 0.00 2.12 2.18 0.00 22 V 8.32 4.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 23 T 8.53 4.84 4.28 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 1.33 0.00 0.00 24 M 9.84 5.07 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 25 K 8.60 5.03 0.00 1.97 1.71 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.43 7.81 26 K 9.54 4.25 0.00 1.75 1.83 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.64 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.34 7.81 27 G 8.42 4.12 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 0.00 0.00 0.00 28 D 8.03 4.50 0.00 2.75 2.66 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 29 I 8.37 4.92 1.89 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 1.36 0.46 0.93 0.00 0.00 30 L 8.54 4.91 0.00 1.68 1.55 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.54 4.53 4.37 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 1.20 0.00 0.00 32 L 8.95 4.50 0.00 1.59 1.64 0.82 0.75 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 33 L 8.62 4.62 0.00 1.39 1.60 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.51 4.41 0.00 2.67 2.62 0.00 0.00 6.75 7.63 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 35 S 8.45 3.72 0.00 2.75 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 36 T 7.97 4.21 4.27 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 1.22 0.00 0.00 37 N 8.05 4.81 0.00 2.92 3.35 0.00 0.00 6.96 6.68 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 38 K 8.85 4.27 0.00 1.85 1.90 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 39 D 8.46 4.38 0.00 2.83 2.30 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 40 W 9.32 5.27 0.00 3.19 3.31 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 41 W 9.16 5.43 0.00 3.28 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 42 K 8.80 4.26 0.00 1.27 1.49 0.00 1.33 0.00 0.00 1.49 0.00 0.00 2.56 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 0.73 7.81 43 V 8.76 4.89 2.18 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 0.90 0.00 0.00 1.02 0.00 0.00 44 E 9.16 4.84 0.00 1.95 1.74 0.00 0.00 0.00 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 2.19 0.00 45 V 8.36 4.20 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 0.96 0.00 0.00 0.96 0.00 0.00 46 N 8.87 3.50 0.00 2.94 3.07 0.00 0.00 5.85 8.06 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 47 D 7.30 4.90 0.00 2.55 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.25 4.79 0.00 1.58 1.77 0.00 3.08 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 49 Q 8.38 4.91 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 50 G 8.25 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 0.00 0.00 0.00 51 F 8.87 5.52 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.95 4.85 1.98 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 0.78 0.00 0.00 1.09 0.00 0.00 53 P 0.00 3.75 0.00 1.47 1.19 0.00 2.46 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.48 0.00 54 A 8.80 2.64 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.57 3.90 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.33 4.40 0.00 3.03 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 57 V 7.57 5.09 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 0.73 0.00 0.00 1.00 0.00 0.00 58 K 8.76 4.75 0.00 1.86 1.66 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 59 K 8.85 4.83 0.00 1.96 1.75 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.64 7.81 60 L 9.58 4.93 0.00 1.57 1.54 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.97 5.12 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 P 0.00 3.55 0.00 2.08 1.98 0.00 3.94 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 75 P 0.00 3.68 0.00 2.11 2.06 0.00 3.23 0.00 0.00 3.40 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 76 P 0.00 4.35 0.00 2.02 2.00 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 77 V 8.14 4.14 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 0.99 0.00 0.00 1.13 0.00 0.00 78 P 0.00 4.48 0.00 2.03 1.92 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.40 0.00 79 P 0.00 4.63 0.00 2.16 1.92 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 80 Y 8.12 4.33 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.