NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.2722 8.3645 123.5817 51.6332 19.9481 177.0281 14 R 3.9908 8.2762 118.6282 54.5639 30.1149 175.5201 15 P 4.4078 0.0000 0.0000 62.0791 32.9048 174.9626 16 L 4.6211 8.0772 122.2384 52.2019 43.5975 174.6600 17 P 4.4183 0.0000 0.0000 63.2875 31.6610 176.0255 18 Q 4.5571 8.5511 117.0616 55.4249 30.5573 175.7161 19 D 4.9457 7.6481 118.8934 51.4694 42.7164 176.5708 20 F 3.9602 8.8019 123.9521 61.8125 39.4070 177.4162 21 E 3.9032 8.3125 117.2887 59.8135 29.2892 179.4531 22 T 3.8205 8.0576 115.2036 66.3982 68.4004 176.6780 23 A 3.8614 7.8198 122.7102 54.9195 18.3272 179.2851 24 L 3.5731 7.8588 118.8965 58.2518 42.0963 178.9328 25 A 4.0809 7.8572 120.5073 55.4082 18.1896 179.4949 26 E 3.8793 8.3907 117.2007 59.1855 29.4242 179.2142 27 L 3.8662 8.1034 120.7286 58.2462 42.1554 178.6843 28 E 3.9092 8.3187 118.7324 59.7881 29.5388 179.5529 29 S 4.1043 8.0219 112.8381 61.1618 62.1666 175.9429 30 L 3.9706 7.9598 122.8813 57.8184 41.8793 178.8109 31 V 3.7283 7.7481 117.4911 66.1753 31.8330 177.6924 32 S 4.3220 8.0109 114.6003 61.5160 62.4696 177.9847 33 A 3.9004 7.4457 120.0807 52.3746 17.2986 178.1944 *35 E 4.2693 8.2534 121.1235 57.5766 31.4454 177.2180 36 N 4.1736 8.1618 115.2109 52.9203 37.7443 175.5259 37 G 3.9073 7.6325 107.6333 47.0594 0.0000 174.4721 38 T 4.5001 7.8870 108.6168 60.6602 70.3654 174.0891 39 L 4.1387 7.8361 123.1218 53.6475 42.2185 175.6277 40 P 4.4108 0.0000 0.0000 62.0562 33.2966 176.8588 41 L 3.8878 8.5185 120.6018 58.8345 41.8131 179.0227 42 E 3.9497 8.1135 118.2170 59.4644 29.6995 178.6205 43 Q 4.0609 8.0392 117.6137 58.9597 28.8147 178.6850 44 S 4.1984 8.4208 116.6292 61.5537 62.7662 176.7519 45 L 4.0884 8.0572 121.7069 57.8619 41.2886 179.6372 46 S 4.1257 8.2159 114.9323 61.6735 62.7028 176.7018 47 A 4.0014 8.6981 123.7280 55.0538 17.9850 179.1230 48 Y 3.9075 8.1446 118.0937 60.9151 39.1005 178.0935 49 R 3.7713 8.2652 119.1602 59.3640 30.2390 178.8593 50 R 3.9333 8.2905 118.6150 59.6143 30.0043 178.8607 51 G 3.5010 8.2935 105.6360 47.4546 0.0000 175.8895 52 V 3.4056 7.6251 120.7353 65.8565 31.4812 178.0328 53 E 3.9187 7.9251 117.8577 59.2793 29.2169 179.3288 54 L 3.9082 8.0062 118.8062 57.7944 41.6996 179.4271 55 A 3.9278 8.1544 120.8921 55.0431 18.2502 179.6620 56 R 3.8085 7.9637 117.3165 59.4916 30.1774 178.8953 57 V 3.5915 7.7998 118.0123 66.2833 31.5006 177.7194 58 C 4.3059 8.2703 116.5606 63.1759 27.9866 176.2600 59 Q 4.0947 8.3696 119.5413 58.7327 28.2560 178.5200 60 D 4.3552 8.2060 120.1820 57.4940 40.9361 178.9270 61 R 3.9873 8.1788 118.5550 59.3094 29.9979 179.1881 62 L 3.8943 8.3072 118.6827 57.4674 41.5169 179.3882 63 A 3.9544 8.1548 120.8066 55.2274 18.3796 179.4274 64 Q 3.9152 8.1607 116.3456 59.3977 28.9816 179.4688 65 A 3.9937 7.9437 121.4363 54.8263 18.3424 179.3884 66 E 3.8085 8.3690 118.1238 59.5155 29.7384 178.6736 67 Q 3.9516 8.1734 119.7081 59.3825 29.0511 178.2310 68 Q 3.9217 8.1707 120.4686 58.9971 29.0662 178.4448 69 V 3.5294 7.6782 118.8543 65.8415 31.5470 177.8198 70 K 3.8013 8.0058 118.3076 59.7745 31.9347 179.1595 71 V 3.5767 7.9216 118.1186 66.2100 31.3707 178.0730 72 L 3.9926 7.9123 118.5548 57.6858 41.3792 179.2876 73 E 4.0521 8.8757 119.0952 59.3518 29.3819 179.5710 74 G 3.6509 8.3787 106.0068 48.0921 0.0000 175.4910 75 D 4.3673 8.0844 120.3850 56.7823 40.8421 178.3055 76 L 4.0713 7.8629 120.3560 58.0032 42.4260 178.3785 77 L 4.1489 7.8264 119.7449 57.3649 41.8755 178.3362 78 R 3.8597 7.8884 118.3931 59.3131 30.0726 176.3199 79 P 4.4044 0.0000 0.0000 64.1673 31.4064 176.3004 80 L 4.2401 8.1519 123.2299 54.8188 41.6985 176.3298 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 13 A 8.36 4.27 1.26 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 0.00 0.00 14 R 8.28 3.99 0.00 1.93 1.73 0.00 3.29 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 15 P 0.00 4.41 0.00 2.02 2.02 0.00 3.60 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 2.02 2.08 0.00 16 L 8.08 4.62 0.00 1.54 1.53 0.89 0.92 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 17 P 0.00 4.42 0.00 2.18 2.02 0.00 3.73 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 1.94 2.12 0.00 18 Q 8.55 4.56 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 19 D 7.65 4.95 0.00 2.91 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 20 F 8.80 3.96 0.00 3.20 3.15 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 0.00 0.00 0.00 21 E 8.31 3.90 0.00 2.20 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 2.40 1.97 0.00 22 T 8.06 3.82 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 1.18 0.00 0.00 23 A 7.82 3.86 1.26 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 0.00 0.00 24 L 7.86 3.57 0.00 0.84 1.40 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.86 4.08 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 26 E 8.39 3.88 0.00 1.95 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 2.29 2.48 0.00 27 L 8.10 3.87 0.00 1.76 1.78 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.32 3.91 0.00 2.14 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 2.32 2.29 0.00 29 S 8.02 4.10 0.00 3.89 4.05 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 30 L 7.96 3.97 0.00 1.93 1.66 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.75 3.73 2.22 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 0.93 0.00 0.00 0.98 0.00 0.00 32 S 8.01 4.32 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.45 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.27 0.00 2.07 2.05 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 2.31 2.56 0.00 36 N 8.16 4.17 0.00 2.84 2.93 0.00 0.00 6.95 7.04 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 37 G 7.63 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.50 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 1.30 0.00 0.00 39 L 7.84 4.14 0.00 1.67 1.66 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.41 0.00 2.41 1.99 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 41 L 8.52 3.89 0.00 1.74 1.69 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.11 3.95 0.00 2.07 1.93 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 2.38 2.41 0.00 43 Q 8.04 4.06 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 44 S 8.42 4.20 0.00 4.04 3.93 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 45 L 8.06 4.09 0.00 1.87 1.75 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.22 4.13 0.00 4.03 3.93 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 47 A 8.70 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 3.91 0.00 3.19 3.21 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 49 R 8.27 3.77 0.00 2.06 1.97 0.00 3.22 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 1.72 1.78 0.00 50 R 8.29 3.93 0.00 1.98 2.09 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 51 G 8.29 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 3.41 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 0.91 0.00 0.00 0.27 0.00 0.00 53 E 7.93 3.92 0.00 2.17 1.94 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 2.44 2.46 0.00 54 L 8.01 3.91 0.00 1.76 1.63 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.15 3.93 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 56 R 7.96 3.81 0.00 2.00 2.13 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 57 V 7.80 3.59 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 0.98 0.00 0.00 1.05 0.00 0.00 58 C 8.27 4.31 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 59 Q 8.37 4.09 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 60 D 8.21 4.36 0.00 2.86 2.73 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 61 R 8.18 3.99 0.00 2.18 2.07 0.00 3.33 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 62 L 8.31 3.89 0.00 1.70 1.67 1.10 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.15 3.95 1.38 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 0.00 0.00 64 Q 8.16 3.92 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 65 A 7.94 3.99 1.31 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 0.00 0.00 66 E 8.37 3.81 0.00 2.20 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 2.29 2.34 0.00 67 Q 8.17 3.95 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 68 Q 8.17 3.92 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 69 V 7.68 3.53 2.19 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 0.96 0.00 0.00 0.94 0.00 0.00 70 K 8.01 3.80 0.00 2.12 1.86 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.34 7.81 71 V 7.92 3.58 2.22 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 1.07 0.00 0.00 0.96 0.00 0.00 72 L 7.91 3.99 0.00 1.89 1.69 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.88 4.05 0.00 2.12 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 2.32 2.53 0.00 74 G 8.38 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 0.00 0.00 0.00 75 D 8.08 4.37 0.00 2.82 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 76 L 7.86 4.07 0.00 1.76 1.85 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.83 4.15 0.00 1.94 1.63 0.92 1.22 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 78 R 7.89 3.86 0.00 1.99 2.12 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 79 P 0.00 4.40 0.00 2.06 2.09 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 80 L 8.15 4.24 0.00 1.74 1.57 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.