NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2236 8.2393 120.8540 56.3820 31.1463 174.4301 6 T 4.1024 8.2119 115.6191 59.4263 70.4692 172.2213 7 A 4.4079 8.8613 128.4573 50.2517 21.4215 177.8953 8 F 4.5988 8.3391 122.7511 56.9073 39.9393 176.4563 9 S 4.4233 8.8051 120.4239 58.2266 64.7937 175.8232 10 S 4.0970 8.5620 117.6988 61.5500 62.5836 176.1950 11 E 3.9151 8.1253 122.5997 59.0038 29.3266 178.7431 12 Q 3.8469 7.6650 116.9663 58.8186 28.8110 178.2930 13 L 3.5195 8.0013 119.9414 57.6616 41.6677 179.3591 14 A 3.9202 8.1768 120.8990 55.3675 18.3256 179.7533 15 R 3.8126 7.6553 116.9313 59.2966 30.0840 178.7103 16 L 3.6834 7.8202 119.2401 57.4024 41.3169 179.5483 17 K 4.0865 7.8940 118.6065 59.5892 32.1102 179.3516 18 R 3.9577 7.8413 118.1826 59.4850 29.9725 178.8836 19 E 4.0266 8.2261 117.9864 59.4805 29.3093 179.0629 20 F 4.1372 8.6359 119.5917 61.4359 39.4489 176.2005 21 N 4.4693 8.4630 115.6872 56.9211 38.8025 176.3744 22 E 4.3499 7.9808 118.6154 57.9459 29.7194 177.0351 23 N 4.6729 7.9941 118.2329 52.4889 41.0453 174.1916 24 R 3.4526 8.3886 122.4067 57.0813 30.0920 175.8617 25 Y 4.7760 7.7763 116.4666 56.0868 40.4484 175.2675 26 L 4.1949 8.3074 124.3872 54.2411 42.9337 177.5147 27 T 4.3057 8.0639 113.2052 60.6221 71.3071 175.5490 28 E 3.8376 8.5666 120.8815 59.4638 29.5560 178.2219 29 R 3.9941 8.0414 118.2215 59.8977 30.0061 178.1012 30 R 3.9967 7.8589 117.6400 59.1253 30.0695 178.1639 31 R 3.7475 7.9582 118.6002 59.6220 30.0443 178.4196 32 Q 3.9963 8.2658 117.8394 59.0582 28.6665 178.9992 33 Q 3.9253 8.2752 119.0348 58.9765 28.8236 178.5622 34 L 3.9424 8.2443 120.3452 58.0147 41.6281 179.5542 35 S 4.0790 8.1157 112.7206 61.4761 62.3966 176.2145 36 S 4.0581 8.0160 115.6181 61.6197 61.9935 176.0661 37 E 4.0642 8.4519 120.1881 58.5444 29.2706 178.2930 38 L 4.4817 7.8492 116.5562 53.2352 42.9236 176.1630 39 G 3.8830 7.7072 106.0182 46.9354 0.0000 173.2706 40 L 4.9440 7.9953 116.6464 52.4024 46.0274 176.7845 41 N 4.7492 9.1979 118.0746 52.6757 39.5159 176.6611 42 E 4.0105 8.8973 120.5064 59.7302 29.3779 179.7297 43 A 4.0492 8.0204 120.2763 55.0860 18.4883 179.5666 44 Q 4.1556 8.2501 116.9195 59.0340 28.9652 178.9202 45 V 3.7264 7.8335 118.9007 65.7990 31.7099 177.8054 46 K 4.0877 8.5043 119.7899 59.5828 32.0234 178.9078 47 G 3.7716 8.5704 106.3509 47.5264 0.0000 175.2967 48 W 4.0477 8.5568 130.7655 60.3103 30.7332 177.9831 49 F 4.0139 8.7519 117.2359 60.4026 38.4741 177.3932 50 K 3.9217 8.2731 119.1316 59.9409 32.0318 178.5960 51 N 4.2669 8.3147 116.7419 56.2016 38.2970 177.2391 52 M 3.3296 7.5334 119.8197 58.2927 32.0451 178.4013 53 R 3.9382 7.8800 118.0165 59.3780 30.2559 178.9495 54 A 3.9470 7.8279 120.3079 54.8749 18.0837 179.6764 55 K 3.7991 7.6555 117.4346 59.5096 32.5635 178.9066 56 I 3.7708 7.7245 120.1654 64.2997 36.9543 178.0503 57 K 3.8253 8.1330 120.4976 59.8181 31.7342 178.8177 58 K 4.0355 8.0296 117.2471 58.8715 31.9215 179.0965 59 S 4.3688 7.9906 116.8805 61.7032 63.3219 174.9391 *60 T 3.9366 7.4904 118.3229 61.3112 70.1679 174.5708 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 5 R 8.24 4.22 0.00 1.76 1.89 0.00 3.17 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 6 T 8.21 4.10 3.98 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 1.13 0.00 0.00 7 A 8.86 4.41 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.60 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.81 4.42 0.00 4.09 4.02 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 0.00 0.00 0.00 10 S 8.56 4.10 0.00 4.07 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 11 E 8.13 3.92 0.00 2.14 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 0.00 2.37 1.97 0.00 12 Q 7.66 3.85 0.00 2.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 13 L 8.00 3.52 0.00 1.64 1.70 1.06 1.30 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 14 A 8.18 3.92 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 15 R 7.66 3.81 0.00 1.89 1.96 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 16 L 7.82 3.68 0.00 0.64 0.13 -0.57 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.89 4.09 0.00 1.97 1.91 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.69 7.81 18 R 7.84 3.96 0.00 2.00 2.01 0.00 3.12 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 1.66 1.99 0.00 19 E 8.23 4.03 0.00 2.36 2.29 0.00 0.00 0.00 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 2.53 0.00 20 F 8.64 4.14 0.00 2.90 3.28 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 21 N 8.46 4.47 0.00 2.91 3.17 0.00 0.00 7.32 7.31 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 22 E 7.98 4.35 0.00 2.45 2.01 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 2.34 2.18 0.00 23 N 7.99 4.67 0.00 2.63 2.72 0.00 0.00 7.30 7.80 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 24 R 8.39 3.45 0.00 0.86 1.00 0.00 2.82 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.00 25 Y 7.78 4.78 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.31 4.19 0.00 1.50 1.42 0.58 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.06 4.31 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 1.20 0.00 0.00 28 E 8.57 3.84 0.00 2.04 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 0.00 2.37 2.36 0.00 29 R 8.04 3.99 0.00 1.99 1.93 0.00 3.34 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.00 30 R 7.86 4.00 0.00 1.93 1.83 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 R 7.96 3.75 0.00 1.91 2.06 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 32 Q 8.27 4.00 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 33 Q 8.28 3.93 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 34 L 8.24 3.94 0.00 1.81 1.72 0.95 0.83 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 35 S 8.12 4.08 0.00 3.91 4.13 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 0.00 0.00 0.00 36 S 8.02 4.06 0.00 4.02 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 37 E 8.45 4.06 0.00 1.93 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 2.34 2.40 0.00 38 L 7.85 4.48 0.00 1.68 1.67 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.71 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.00 4.94 0.00 1.64 1.64 0.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.20 4.75 0.00 2.78 2.76 0.00 0.00 7.36 7.38 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 42 E 8.90 4.01 0.00 2.02 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 2.56 2.40 0.00 43 A 8.02 4.05 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 44 Q 8.25 4.16 0.00 2.46 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 45 V 7.83 3.73 2.23 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 1.02 0.00 0.00 1.01 0.00 0.00 46 K 8.50 4.09 0.00 1.94 2.07 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.52 7.81 47 G 8.57 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 48 W 8.56 4.05 0.00 3.49 3.38 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 49 F 8.75 4.01 0.00 3.38 3.28 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 50 K 8.27 3.92 0.00 1.99 2.07 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.54 7.81 51 N 8.31 4.27 0.00 2.72 2.64 0.00 0.00 6.74 8.52 0.00 0.00 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 M 7.53 3.33 0.00 0.92 0.57 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 53 R 7.88 3.94 0.00 2.06 1.97 0.00 2.89 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 54 A 7.83 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 55 K 7.66 3.80 0.00 1.68 1.76 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 56 I 7.72 3.77 1.99 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 1.34 0.47 0.93 0.00 0.00 57 K 8.13 3.83 0.00 2.09 1.93 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.37 7.81 58 K 8.03 4.04 0.00 2.20 1.84 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.32 7.81 59 S 7.99 4.37 0.00 4.03 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 *60 T 7.49 3.94 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.