NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.8653 8.4245 119.4088 57.2744 40.5913 174.5989 6 K 4.7043 8.9101 125.5588 51.1479 35.4976 171.3005 7 P 4.6650 0.0000 0.0000 64.8074 32.6338 176.5364 8 G 4.0814 9.4470 112.1166 45.2573 0.0000 173.8415 9 D 4.5601 7.7870 119.4266 54.8938 42.0837 175.8030 10 L 5.0240 8.5622 122.1847 54.1066 43.8520 175.9963 11 V 5.1080 8.5326 114.6932 60.5072 37.0599 173.2232 12 F 5.4083 9.9247 120.5585 56.0980 41.4901 175.0853 13 A 5.2908 9.3631 124.1988 50.1007 21.8426 174.6579 14 K 4.9620 9.4921 124.6350 55.0176 33.9345 175.6258 15 M 4.9355 8.7067 127.7932 53.5068 35.9852 175.4800 16 K 4.0908 8.7110 123.1984 56.3838 32.1101 177.8089 17 G 3.7901 9.2738 111.5472 44.7932 0.0000 172.4449 18 Y 4.9637 7.5545 115.1839 55.0134 41.8621 173.5894 19 P 4.5801 0.0000 0.0000 62.4760 32.2595 175.7384 20 H 4.3697 8.8086 116.3720 56.5269 29.0626 174.5153 21 W 5.0691 9.3707 133.6562 54.5653 33.6105 172.9223 22 P 4.4265 0.0000 0.0000 63.3188 32.2204 175.1028 23 A 4.8539 8.8068 123.5867 51.6441 23.3800 174.6163 24 R 5.0061 8.3635 113.8709 54.9985 33.4623 174.5005 25 I 4.3099 8.3859 121.7186 61.5004 38.2953 175.2680 26 D 4.9207 8.3814 128.5903 53.1341 43.8235 175.9688 27 D 4.3147 8.4746 122.3641 54.3762 42.1805 176.1147 *39 K 4.3016 8.4573 127.9251 53.5161 34.3009 173.4796 40 Y 5.0646 7.9752 115.8805 55.3708 41.0887 173.7235 41 P 4.1780 0.0000 0.0000 62.5363 32.9198 174.8803 42 I 4.5412 8.4460 126.3751 59.1020 39.9267 174.2517 43 F 4.8181 8.7613 130.3212 56.5807 41.2426 174.3280 44 F 4.4947 8.1870 125.6531 56.1170 40.3559 175.6903 45 F 4.4620 8.5365 122.5116 58.8684 39.2385 175.1169 46 G 4.5251 10.1011 118.0977 46.0198 0.0000 175.1611 47 T 4.0346 7.7533 109.4796 61.1469 69.6367 174.8583 48 H 3.4216 7.4513 117.4601 56.5864 26.9508 174.2340 49 E 4.6192 6.9183 116.4506 55.3362 31.9124 175.4078 50 T 5.2406 8.2115 116.8059 62.1492 71.9825 173.2523 51 A 4.6148 8.7298 124.7478 50.8746 23.4521 175.0366 52 F 5.1999 8.7702 118.3405 56.0592 40.4931 175.5562 53 L 4.9411 8.8683 123.5090 52.8534 46.0204 176.8795 54 G 4.3268 8.5873 110.4871 43.6887 0.0000 172.9419 55 P 4.3607 0.0000 0.0000 65.9572 31.4936 179.9608 56 K 3.9660 8.0459 118.5283 57.0969 32.0576 181.4014 57 D 4.9031 8.2227 116.4495 54.4256 40.9709 175.1970 58 L 5.1329 7.1651 120.1151 52.8110 44.1567 175.9907 59 F 4.9916 9.4292 122.4684 54.8848 42.2207 172.8391 60 P 4.6646 0.0000 0.0000 63.4564 32.0547 176.5469 61 Y 4.2533 9.2828 126.1564 61.1481 39.1665 177.8940 62 D 4.2026 8.6830 120.5876 58.0574 41.0316 179.2593 63 K 4.1947 7.6112 119.0199 56.7591 31.9661 179.0672 64 C 4.7856 8.0743 113.1855 59.1364 29.6026 175.9355 65 K 4.2219 8.0444 123.3692 60.5636 31.8414 179.3268 66 D 4.3824 8.0395 123.8088 58.3789 39.7661 182.5040 67 K 4.1472 7.4759 122.6623 58.7352 32.2967 180.0458 68 Y 4.6810 7.3520 115.5121 57.9274 39.2416 177.0711 69 G 4.2084 7.9256 113.7664 44.4858 0.0000 173.6350 70 K 4.7443 7.6756 120.9529 52.2618 36.2874 175.8384 71 P 4.8324 0.0000 0.0000 62.8771 31.9492 175.3041 72 N 4.7341 8.6166 117.1137 52.1449 41.7564 175.0803 73 K 4.1560 8.3517 122.5961 58.4059 32.8086 178.0870 74 R 4.1257 8.5846 122.1609 56.1016 30.5531 176.8846 75 K 4.1838 8.7780 123.3938 56.4800 31.9769 176.6977 76 G 4.2408 9.1874 112.6916 44.9903 0.0000 175.0082 77 F 3.3069 8.3946 122.0039 61.3387 39.4421 176.7798 78 N 4.4453 8.2733 115.6449 56.2043 38.4333 176.7088 79 E 4.1321 8.4183 120.4854 59.3835 29.6947 178.9842 80 G 3.7280 8.3986 105.8924 47.9123 0.0000 175.5801 81 L 3.9038 8.0142 121.8658 57.1351 41.5558 179.4337 82 W 4.0314 8.1642 127.9847 60.4963 30.6034 177.9686 83 E 3.7511 8.3298 118.5492 59.3723 28.7268 179.2177 84 I 2.4832 6.7759 117.3437 63.2889 37.8977 177.2420 85 Q 3.9590 7.1255 119.5850 57.7895 29.0263 176.5146 86 N 4.4698 7.2895 115.4595 52.8443 41.6427 174.5509 87 N 4.8811 7.5054 117.7533 51.6031 39.0796 172.4962 88 P 4.1111 0.0000 0.0000 65.2170 32.2569 177.2848 89 H 4.8905 7.8720 115.3122 55.1184 29.5194 173.8160 90 A 4.2641 8.0902 127.2469 52.4009 18.8341 177.9791 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 F 8.42 4.87 0.00 2.47 2.51 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 6 K 8.91 4.70 0.00 1.63 1.61 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.35 7.81 7 P 0.00 4.67 0.00 2.04 2.18 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 8 G 9.45 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.56 0.00 2.86 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 10 L 8.56 5.02 0.00 1.57 1.25 0.60 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.53 5.11 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 0.59 0.00 0.00 0.76 0.00 0.00 12 F 9.92 5.41 0.00 3.12 3.07 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 13 A 9.36 5.29 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 14 K 9.49 4.96 0.00 1.65 1.92 0.00 1.65 0.00 0.00 1.18 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.49 7.81 15 M 8.71 4.94 0.00 2.16 1.89 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 2.71 2.58 0.00 16 K 8.71 4.09 0.00 1.77 1.62 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.02 7.81 17 G 9.27 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.55 4.96 0.00 2.98 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 19 P 0.00 4.58 0.00 2.17 2.00 0.00 4.35 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 20 H 8.81 4.37 0.00 2.44 2.92 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 9.37 5.07 0.00 3.95 3.26 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 22 P 0.00 4.43 0.00 2.03 1.86 0.00 2.57 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.41 0.00 23 A 8.81 4.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 5.01 0.00 1.93 2.05 0.00 2.72 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 25 I 8.39 4.31 2.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.89 0.91 0.00 0.00 26 D 8.38 4.92 0.00 2.45 2.54 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 27 D 8.47 4.31 0.00 2.55 2.52 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 0.00 0.00 0.00 0.00 *39 K 8.46 4.30 0.00 1.84 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 40 Y 7.98 5.06 0.00 2.99 2.74 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 0.00 0.00 0.00 41 P 0.00 4.18 0.00 1.99 2.11 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 42 I 8.45 4.54 1.60 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.04 0.00 0.00 43 F 8.76 4.82 0.00 3.03 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.49 0.00 2.46 2.52 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 0.00 0.00 0.00 0.00 45 F 8.54 4.46 0.00 3.14 3.20 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 46 G 10.10 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.03 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 1.09 0.00 0.00 48 H 7.45 3.42 0.00 3.37 3.58 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 6.92 4.62 0.00 1.64 1.66 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 2.12 2.23 0.00 50 T 8.21 5.24 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 51 A 8.73 4.61 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 52 F 8.77 5.20 0.00 2.97 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 53 L 8.87 4.94 0.00 1.57 1.54 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.59 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.31 2.39 0.00 3.71 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 56 K 8.05 3.97 0.00 1.77 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.03 7.81 57 D 8.22 4.90 0.00 2.87 2.99 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 0.00 0.00 0.00 58 L 7.17 5.13 0.00 1.20 0.91 0.09 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.43 4.99 0.00 3.21 3.27 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 0.00 60 P 0.00 4.66 0.00 2.23 2.15 0.00 3.88 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 61 Y 9.28 4.25 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.68 4.20 0.00 2.76 2.75 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 0.00 0.00 0.00 63 K 7.61 4.19 0.00 1.81 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.28 7.81 64 C 8.07 4.79 0.00 3.38 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 65 K 8.04 4.22 0.00 1.92 1.80 0.00 1.27 0.00 0.00 0.71 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.32 7.81 66 D 8.04 4.38 0.00 2.80 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 67 K 7.48 4.15 0.00 1.85 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.09 7.81 68 Y 7.35 4.68 0.00 1.43 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 0.00 0.00 0.00 0.00 69 G 7.93 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.68 4.74 0.00 1.72 1.51 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.02 7.81 71 P 0.00 4.83 0.00 2.04 2.15 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 72 N 8.62 4.73 0.00 1.59 1.42 0.00 0.00 7.19 6.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.35 4.16 0.00 1.74 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.42 7.81 74 R 8.58 4.13 0.00 1.92 2.31 0.00 3.49 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.03 0.00 75 K 8.78 4.18 0.00 1.77 1.63 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.02 7.81 76 G 9.19 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 0.00 0.00 0.00 0.00 77 F 8.39 3.31 0.00 2.70 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 78 N 8.27 4.45 0.00 2.85 2.93 0.00 0.00 6.66 7.66 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 79 E 8.42 4.13 0.00 2.08 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 0.00 2.52 2.44 0.00 80 G 8.40 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 81 L 8.01 3.90 0.00 1.92 1.78 1.16 1.17 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 82 W 8.16 4.03 0.00 3.46 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.33 3.75 0.00 2.13 1.88 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 2.74 2.90 0.00 84 I 6.78 2.48 1.01 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.03 0.60 0.00 0.00 85 Q 7.13 3.96 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 86 N 7.29 4.47 0.00 1.44 1.88 0.00 0.00 6.71 7.69 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 87 N 7.51 4.88 0.00 2.41 2.67 0.00 0.00 7.23 7.23 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 88 P 0.00 4.11 0.00 1.79 1.91 0.00 3.59 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 89 H 7.87 4.89 0.00 3.09 3.30 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.