NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3684 8.2027 121.9785 55.3714 32.0430 174.2663 4 V 4.8183 7.7888 118.1232 59.3507 34.1268 173.3971 5 T 4.6577 9.9297 120.1750 60.0527 71.6634 172.3841 6 Q 5.3030 8.8224 125.2797 54.2002 31.1575 175.1863 7 S 4.8571 8.7718 116.7678 56.1448 66.8000 172.2101 8 P 4.9497 0.0000 0.0000 61.6404 32.5779 176.1684 9 E 4.0828 8.9272 116.3675 58.7774 29.3898 177.1613 10 A 4.7643 7.7409 120.6567 49.3305 22.0021 174.8106 11 L 4.7215 8.5169 121.1024 52.9565 44.1184 176.9034 12 R 4.4686 8.4928 122.3852 54.2338 30.6444 174.6545 13 L 4.9038 7.9861 121.4642 52.6772 44.4786 176.6469 14 Q 4.3008 8.9431 120.5813 54.6414 29.7124 175.4408 15 E 3.9225 8.6444 121.4478 58.3949 29.7478 177.5307 16 G 3.8272 9.0206 114.2173 45.1408 0.0000 172.7127 17 E 4.2598 7.8740 120.7415 54.6298 28.9788 176.0787 18 S 4.3189 8.2873 122.5787 58.9670 63.6068 173.7653 19 S 4.5990 7.9711 115.6645 57.3300 64.9753 173.6540 20 S 4.5992 8.3298 118.2526 56.2692 65.0803 173.3258 21 L 4.4461 8.3263 124.8340 53.5850 42.7788 175.6004 22 N 4.8930 8.9673 123.0083 53.1634 40.7308 173.1818 23 C 5.0525 8.8294 124.2228 55.3069 45.6686 172.9655 24 S 5.0858 9.4912 123.7606 57.4853 64.5639 173.1894 25 Y 5.5277 8.0721 120.5917 55.5497 41.0915 174.3269 26 T 4.7061 8.8206 111.6106 60.0970 71.1987 173.4535 27 V 4.5877 8.3752 123.6345 61.1779 34.8612 174.2129 28 S 4.3242 8.8907 120.1790 61.0602 63.0159 175.1680 29 G 4.0866 7.5409 107.2268 43.5900 0.0000 172.1215 30 L 4.1060 8.5732 126.5088 54.7677 42.3242 176.4766 31 R 4.1711 8.8757 127.2145 58.5086 30.7261 176.6438 32 G 3.9946 7.6820 103.0105 44.4535 0.0000 171.5602 *39 L 4.6263 8.0033 123.7888 54.8276 43.4522 175.2741 40 F 5.2715 8.8497 123.5194 55.4352 42.5206 174.4178 41 W 4.9520 8.9800 121.5873 55.2291 32.0860 174.3078 42 Y 5.2452 9.0215 120.4260 56.2121 41.7141 174.4721 43 R 4.7453 9.2396 122.2925 54.6325 32.9971 174.3550 44 Q 4.7369 8.6739 126.4648 54.4596 31.5376 174.5887 45 D 4.7166 8.6864 126.3588 52.6527 42.1227 174.2603 46 P 4.4115 0.0000 0.0000 64.1969 31.6177 177.0357 47 G 3.9195 9.0170 110.2859 45.7294 0.0000 172.7505 48 K 4.6667 7.7695 117.4557 53.9153 35.4780 175.9964 49 G 4.0226 8.2864 107.3680 44.7813 0.0000 171.9346 50 P 4.6602 0.0000 0.0000 62.9624 32.0706 175.3368 51 E 4.8043 9.7006 126.4212 54.0095 31.7815 174.8341 52 F 3.8019 9.1973 129.4559 59.0625 39.5051 172.7486 53 L 3.9057 7.4124 123.7006 55.0369 43.3790 176.1969 54 F 4.7441 6.7222 115.4139 55.9844 44.0323 172.8696 55 T 4.5608 8.4781 115.0832 60.1472 69.9430 172.8533 56 L 4.4881 8.2978 128.0729 53.2775 44.2235 175.8920 57 Y 4.6274 9.3893 120.5923 58.4090 40.2584 176.4596 58 S 4.7467 7.9347 112.0554 55.5172 66.1220 172.9779 59 A 4.3051 8.6613 124.6942 54.5608 18.2151 178.1129 60 G 3.9801 9.2632 112.3150 44.7168 0.0000 173.1880 61 E 4.0589 8.0416 121.8228 56.0312 30.8130 175.4390 *66 E 4.8631 8.4772 124.3940 56.4979 31.1040 175.3224 67 K 4.5981 8.4732 121.1029 54.6474 36.6561 174.9689 68 E 4.8709 8.6503 123.9637 54.3440 32.9384 174.9747 69 K 4.3691 9.1706 127.8390 55.0637 34.9175 177.1633 70 E 3.6088 8.9641 130.8290 57.9037 28.3285 178.1457 *78 R 4.3674 8.7417 127.1179 56.3231 31.9956 174.4736 79 L 4.7339 7.5377 119.0576 52.7443 44.1726 175.5605 80 K 4.5801 8.3141 123.5087 54.6419 35.2390 174.7416 81 A 4.5946 8.3232 129.8844 50.1388 21.3394 175.3010 82 T 5.0765 8.3813 111.3413 59.7010 72.6186 173.0183 83 L 4.8476 8.2478 122.6406 53.7163 45.7024 176.3399 84 T 4.2665 8.6879 121.4088 63.8163 69.1114 173.7435 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 3 Q 8.20 4.37 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 4 V 7.79 4.82 2.07 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 0.88 0.00 0.00 0.94 0.00 0.00 5 T 9.93 4.66 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 6 Q 8.82 5.30 0.00 1.98 2.13 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 2.29 2.31 0.00 7 S 8.77 4.86 0.00 3.89 3.92 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 8 P 0.00 4.95 0.00 2.36 2.12 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 9 E 8.93 4.08 0.00 2.09 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 0.00 2.29 2.40 0.00 10 A 7.74 4.76 1.23 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 0.00 0.00 0.00 11 L 8.52 4.72 0.00 1.62 1.57 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.49 4.47 0.00 1.75 1.85 0.00 3.34 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 13 L 7.99 4.90 0.00 1.59 1.56 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.94 4.30 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 15 E 8.64 3.92 0.00 1.92 1.89 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 2.30 2.34 0.00 16 G 9.02 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 0.00 0.00 0.00 17 E 7.87 4.26 0.00 1.93 2.08 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 2.27 2.26 0.00 18 S 8.29 4.32 0.00 3.88 3.75 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 19 S 7.97 4.60 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.60 0.00 3.92 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 21 L 8.33 4.45 0.00 1.55 1.78 0.86 1.06 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 22 N 8.97 4.89 0.00 2.91 2.88 0.00 0.00 6.17 8.14 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 23 C 8.83 5.05 0.00 2.91 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 24 S 9.49 5.09 0.00 3.88 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 25 Y 8.07 5.53 0.00 2.90 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 26 T 8.82 4.71 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 1.16 0.00 0.00 27 V 8.38 4.59 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 0.92 0.00 0.00 1.02 0.00 0.00 28 S 8.89 4.32 0.00 4.04 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 29 G 7.54 4.09 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 0.00 0.00 0.00 30 L 8.57 4.11 0.00 1.72 1.66 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.88 4.17 0.00 1.88 2.03 0.00 3.42 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 32 G 7.68 3.99 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 0.00 0.00 0.00 *39 L 8.00 4.63 0.00 1.44 1.55 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.85 5.27 0.00 3.00 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 41 W 8.98 4.95 0.00 3.31 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 42 Y 9.02 5.25 0.00 2.85 2.89 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 43 R 9.24 4.75 0.00 1.85 1.77 0.00 3.03 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 44 Q 8.67 4.74 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 45 D 8.69 4.72 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.04 2.01 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 47 G 9.02 3.92 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 0.00 48 K 7.77 4.67 0.00 1.94 1.71 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 G 8.29 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 0.00 0.00 0.00 50 P 0.00 4.66 0.00 1.72 1.90 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 51 E 9.70 4.80 0.00 2.06 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 0.00 2.24 2.30 0.00 52 F 9.20 3.80 0.00 3.06 2.97 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 0.00 0.00 0.00 53 L 7.41 3.91 0.00 1.23 0.50 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 F 6.72 4.74 0.00 2.86 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 55 T 8.48 4.56 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 1.22 0.00 0.00 56 L 8.30 4.49 0.00 1.34 1.39 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.39 4.63 0.00 2.89 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 58 S 7.93 4.75 0.00 3.99 3.97 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 0.00 0.00 0.00 59 A 8.66 4.31 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 60 G 9.26 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 0.00 0.00 0.00 0.00 61 E 8.04 4.06 0.00 2.20 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 2.31 2.30 0.00 *66 E 8.48 4.86 0.00 1.85 1.80 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 2.23 2.16 0.00 67 K 8.47 4.60 0.00 1.29 1.52 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.30 7.81 68 E 8.65 4.87 0.00 1.80 1.71 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 2.15 2.36 0.00 69 K 9.17 4.37 0.00 2.07 1.69 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.46 7.81 70 E 8.96 3.61 0.00 2.20 1.12 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 2.30 2.31 0.00 *78 R 8.74 4.37 0.00 1.81 2.00 0.00 3.21 0.00 0.00 2.46 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 79 L 7.54 4.73 0.00 1.74 1.65 0.91 0.97 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 80 K 8.31 4.58 0.00 1.56 1.47 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.25 7.81 81 A 8.32 4.59 0.66 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 82 T 8.38 5.08 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 83 L 8.25 4.85 0.00 1.69 1.52 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.69 4.27 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.