NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1989 8.2493 123.5816 51.9003 20.6139 177.6952 3 K 4.1082 7.7387 122.6273 55.5268 31.8893 171.0067 4 E 4.7604 9.4159 126.9086 56.5192 37.1381 175.3362 5 P 4.0507 0.0000 0.0000 62.4484 31.5011 174.6098 6 C 4.0093 8.7486 121.9375 59.9341 31.0881 174.4890 7 V 3.7992 8.2100 128.2308 64.0091 31.3816 177.2431 8 E 4.1957 8.0501 118.2926 57.7611 29.2197 178.3900 9 S 4.2464 7.5769 113.5837 60.6015 63.0032 175.8664 10 L 4.2119 7.6247 122.4098 57.3336 41.9097 179.1832 11 V 3.6164 7.4988 111.2825 63.3192 31.6679 178.4924 12 S 4.0507 7.6925 114.3604 61.4124 62.8470 176.5216 13 Q 4.0563 7.7623 120.5812 58.6649 28.2265 177.8069 14 Y 4.1731 7.7146 120.3392 60.6353 38.8364 177.9645 15 F 4.4887 7.9454 118.5951 60.7377 39.0299 177.7263 16 Q 4.0891 8.1665 117.4403 59.1370 27.9538 179.0484 17 T 3.8799 8.0042 117.0497 66.6899 68.3536 177.1315 18 V 3.7028 7.1674 119.1493 64.6292 31.8308 178.2485 19 T 4.0937 7.8349 116.9939 66.6333 68.2302 176.5560 20 D 4.5189 8.4117 120.7257 56.9754 40.2087 178.0376 21 Y 4.5075 7.1550 121.3900 60.2251 38.8027 178.6158 22 G 3.5015 7.8267 104.9322 47.4305 0.0000 175.8803 23 K 4.0359 7.7510 120.7291 59.2857 31.5753 179.1246 24 D 4.3251 7.6890 118.5025 57.1600 40.3492 178.3331 25 L 4.1292 7.5413 117.8823 56.4289 41.4059 178.7023 26 M 4.0282 7.6794 118.9846 58.7233 32.0784 178.0324 27 E 4.0383 7.8846 117.8236 59.0756 29.3311 179.4630 28 K 3.9993 7.3724 116.9927 59.1813 32.1695 179.1095 29 V 3.7626 7.2917 116.4174 64.5037 32.0220 175.9965 30 K 4.4305 7.4685 118.7996 56.2019 31.9819 176.9837 31 S 4.7134 7.7600 114.7467 59.4453 70.0800 174.5467 32 P 4.4963 0.0000 0.0000 62.5927 30.3223 174.9555 33 E 4.2301 8.6415 124.6237 56.7455 31.7939 178.0416 34 L 4.3667 8.4834 125.4108 55.3366 40.5735 180.1149 35 Q 4.1894 7.2950 119.0192 55.1756 27.5232 176.0877 *39 K 4.4389 7.9121 120.7182 56.1408 34.7653 178.3440 40 S 4.4810 7.8292 113.7273 60.5452 62.2355 175.2312 41 Y 4.0850 7.7497 122.1770 60.5987 37.8650 177.6934 42 F 4.3260 7.4051 118.0334 60.0364 38.5466 177.4577 43 E 4.0155 7.9164 117.8834 59.0144 29.5380 178.4135 44 K 4.0693 8.0052 119.6895 58.9537 31.9766 178.4985 45 S 4.1019 7.7419 114.3984 61.3174 62.9587 176.5064 46 K 4.1362 7.4887 118.2719 58.3904 31.5389 178.3919 47 E 4.2810 8.0468 117.7680 57.6041 29.2114 177.7570 48 Q 4.5706 7.4868 115.5136 55.6539 31.2758 177.1645 49 L 4.1178 7.6181 121.3478 58.2164 42.2000 178.7166 50 T 3.9588 7.7343 115.5042 66.1181 68.6877 174.8813 51 P 4.3896 0.0000 0.0000 64.7411 31.1335 177.8655 52 L 3.9761 7.3003 119.2810 58.1571 41.8896 178.3716 53 I 4.0062 7.5490 119.8778 63.9076 37.3375 177.8593 54 K 4.2212 7.8674 117.0561 57.5491 32.2127 178.7696 55 K 3.9855 8.0147 120.5177 59.1268 32.0934 178.1756 56 A 4.2967 7.8692 120.4709 53.9994 18.3096 179.7838 57 G 3.4416 7.8771 105.0720 48.1001 0.0000 175.4293 58 T 4.0043 7.6855 112.4128 63.1820 67.6942 174.3858 59 E 4.1096 7.4106 118.2938 58.5403 30.4337 177.2956 60 L 4.2280 8.1447 117.8840 58.0691 42.2046 179.6914 61 V 3.6097 7.7971 117.5844 66.1008 31.1233 177.1147 62 N 4.3742 7.1629 111.6654 54.7498 38.6289 175.9683 63 F 5.0482 7.8784 116.6948 57.2622 39.5352 177.5186 64 L 4.1832 7.6616 120.6519 58.0417 41.3203 178.9674 65 S 4.3698 8.0522 111.2772 60.2755 62.2863 175.0089 66 Y 5.0285 7.2421 122.3240 60.5064 38.6050 177.5523 67 F 4.3493 7.0921 117.5253 59.7640 40.2293 177.0273 68 V 3.9995 7.0333 120.1993 61.9439 29.5165 174.1186 69 E 4.5557 7.5182 121.8892 55.2493 35.3905 178.5243 70 L 3.8010 7.7100 119.5634 54.6539 40.8054 174.5290 71 G 3.8854 8.1757 108.5078 44.9964 0.0000 172.2956 72 T 4.1084 8.4214 117.2852 60.7610 69.3654 174.2389 73 Q 4.6047 8.3863 125.7147 52.7630 31.0746 173.5488 74 P 4.3392 0.0000 0.0000 62.7137 32.3071 175.7711 75 A 4.4185 8.2879 134.2434 54.0800 18.5994 177.1751 76 T 3.7753 9.0121 113.3109 64.0350 67.2989 171.9443 77 Q 3.9759 7.9182 122.3773 56.3624 28.5265 173.2174 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 2 A 8.25 4.20 1.30 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 0.00 0.00 3 K 7.74 4.11 0.00 1.95 1.87 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 4 E 9.42 4.76 0.00 1.89 1.92 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 2.16 2.28 0.00 5 P 0.00 4.05 0.00 2.06 2.01 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 6 C 8.75 4.01 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.21 3.80 2.06 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 0.77 0.00 0.00 0.89 0.00 0.00 8 E 8.05 4.20 0.00 2.04 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 2.41 2.36 0.00 9 S 7.58 4.25 0.00 4.04 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 10 L 7.62 4.21 0.00 1.75 1.67 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.50 3.62 1.61 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 0.86 0.00 0.00 0.72 0.00 0.00 12 S 7.69 4.05 0.00 4.07 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 0.00 13 Q 7.76 4.06 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 14 Y 7.71 4.17 0.00 2.88 2.92 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 15 F 7.95 4.49 0.00 3.34 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.17 4.09 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 17 T 8.00 3.88 4.31 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 1.20 0.00 0.00 18 V 7.17 3.70 1.81 0.00 0.00 0.00 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 0.85 0.00 0.00 19 T 7.83 4.09 4.41 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 1.22 0.00 0.00 20 D 8.41 4.52 0.00 2.87 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 21 Y 7.16 4.51 0.00 2.95 3.22 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 0.00 22 G 7.83 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 23 K 7.75 4.04 0.00 1.92 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 24 D 7.69 4.33 0.00 2.71 2.65 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 25 L 7.54 4.13 0.00 1.52 1.58 0.52 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.68 4.03 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 27 E 7.88 4.04 0.00 2.05 1.96 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 2.31 2.49 0.00 28 K 7.37 4.00 0.00 1.90 1.84 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.60 7.81 29 V 7.29 3.76 2.17 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 0.81 0.00 0.00 0.94 0.00 0.00 30 K 7.47 4.43 0.00 1.87 1.78 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.57 7.81 31 S 7.76 4.71 0.00 3.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.50 0.00 2.16 2.09 0.00 3.79 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 1.97 1.96 0.00 33 E 8.64 4.23 0.00 1.93 1.73 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 2.18 2.38 0.00 34 L 8.48 4.37 0.00 1.70 1.69 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.30 4.19 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 *39 K 7.91 4.44 0.00 1.92 2.07 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.54 7.81 40 S 7.83 4.48 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 4.08 0.00 2.80 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 42 F 7.41 4.33 0.00 3.30 2.96 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 43 E 7.92 4.02 0.00 2.15 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 2.42 2.43 0.00 44 K 8.01 4.07 0.00 1.75 1.79 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.31 7.81 45 S 7.74 4.10 0.00 3.87 3.39 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 46 K 7.49 4.14 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.57 7.81 47 E 8.05 4.28 0.00 2.19 1.96 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 2.31 2.59 0.00 48 Q 7.49 4.57 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 49 L 7.62 4.12 0.00 1.86 1.77 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.73 3.96 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 51 P 0.00 4.39 0.00 2.25 2.29 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 52 L 7.30 3.98 0.00 1.94 1.93 0.92 1.04 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 53 I 7.55 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 54 K 7.87 4.22 0.00 1.83 1.83 0.00 1.55 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.54 7.81 55 K 8.01 3.99 0.00 2.06 1.89 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.60 7.81 56 A 7.87 4.30 1.37 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 0.00 0.00 0.00 57 G 7.88 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 4.00 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 1.19 0.00 0.00 59 E 7.41 4.11 0.00 2.10 1.84 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 2.32 2.38 0.00 60 L 8.14 4.23 0.00 1.88 1.77 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.80 3.61 2.28 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 1.05 0.00 0.00 0.96 0.00 0.00 62 N 7.16 4.37 0.00 2.14 2.46 0.00 0.00 6.94 7.33 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 63 F 7.88 5.05 0.00 3.21 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 64 L 7.66 4.18 0.00 1.87 1.82 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.05 4.37 0.00 3.94 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 66 Y 7.24 5.03 0.00 3.30 3.18 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 67 F 7.09 4.35 0.00 3.22 2.91 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 68 V 7.03 4.00 2.14 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 0.78 0.00 0.00 1.00 0.00 0.00 69 E 7.52 4.56 0.00 1.92 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 2.39 2.63 0.00 70 L 7.71 3.80 0.00 1.76 1.68 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.18 3.89 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 0.00 0.00 0.00 72 T 8.42 4.11 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 73 Q 8.39 4.60 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 74 P 0.00 4.34 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 75 A 8.29 4.42 1.22 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 0.00 0.00 0.00 76 T 9.01 3.78 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 77 Q 7.92 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.