NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.3206 8.1227 123.5817 51.8585 21.0131 178.6558 12 L 3.8680 7.8092 117.9547 57.4556 42.3123 176.9740 13 D 4.4092 8.2734 117.5955 56.9428 41.7071 176.4850 14 S 4.3710 7.6189 111.3161 58.4043 62.5729 173.8528 15 L 3.9963 7.6964 120.5090 55.3658 41.5858 176.3176 16 A 4.3591 8.5348 127.3263 51.1775 19.4313 176.1112 17 L 4.6672 8.3123 123.0610 52.8906 43.9323 176.0136 18 D 4.6403 8.7123 123.4222 53.7002 40.8229 175.6099 19 L 5.1932 8.3315 124.2468 53.0819 44.5045 176.0982 20 T 4.7412 8.8431 111.6952 59.8312 72.3376 172.7198 21 L 4.8259 8.4252 122.8395 54.0372 43.0042 175.9291 22 R 4.4628 9.3609 125.0763 54.5471 32.0226 175.9274 23 C 4.7937 9.6026 123.5281 58.7231 28.6079 172.9245 24 G 4.1170 7.2207 106.0880 43.5245 0.0000 172.7601 25 E 4.7649 8.7152 117.0212 55.0161 32.6377 173.9770 26 L 4.7394 7.9948 117.9785 54.7688 43.0890 174.3371 27 R 4.6402 8.3559 119.3741 54.4321 32.0880 175.1003 28 L 4.9476 8.1683 123.8593 52.1604 45.6021 176.9997 29 T 4.1513 8.7176 113.6601 61.2643 70.9120 175.4837 30 L 3.9031 8.3900 122.2076 58.0795 42.0566 178.7291 31 A 3.9732 7.9265 120.2345 55.2655 18.3854 179.2379 32 E 3.8921 8.0981 117.0628 59.5931 29.3462 179.4391 33 L 4.0781 7.9239 119.1186 58.1435 42.1170 178.9331 34 R 4.1221 7.6359 117.2744 58.8766 30.1859 178.3992 35 R 4.1970 7.7287 115.6071 56.1205 30.4585 176.5153 36 L 4.1394 7.0070 121.2071 54.6683 42.8420 175.4184 37 D 4.8148 8.3088 123.5851 50.8015 42.8469 174.2140 38 A 4.1350 8.4746 122.0134 54.0052 18.4908 176.9146 39 G 4.1374 9.1564 110.7393 46.0406 0.0000 174.6582 40 T 3.8170 7.3503 115.5378 64.0194 68.8311 173.3610 41 I 4.3365 8.2604 126.6121 59.6305 38.4593 174.9644 42 L 4.5981 8.1921 125.5920 52.6992 43.2299 176.1125 43 E 4.0443 8.6434 123.8676 56.0361 30.2472 175.8824 44 V 4.2832 8.2407 125.4780 61.3070 33.5395 174.5139 45 T 4.4644 8.7530 121.0133 61.1422 69.7461 174.6868 46 G 3.9081 10.4339 110.9738 45.1994 0.0000 173.1786 47 I 4.3872 7.0060 117.1087 59.4631 40.9789 174.3242 48 S 4.3062 8.4945 123.5100 57.6723 63.4185 172.2389 49 P 4.2972 0.0000 0.0000 64.0575 31.7365 177.1219 50 G 3.8830 8.9430 108.5359 45.9756 0.0000 172.2753 51 H 5.5009 7.5953 115.3019 54.1754 32.3451 172.6563 52 A 4.8684 8.9322 119.9217 51.5050 23.0317 175.4114 53 T 4.9283 8.7364 109.6690 59.9109 72.1740 173.0726 54 L 4.9398 8.8576 125.9962 54.1193 43.7547 174.9419 55 C 5.3607 9.4073 124.0097 58.1806 32.2737 172.6652 56 H 4.9111 9.3114 123.4479 54.2808 31.1999 176.0198 57 G 3.7054 8.8346 120.1182 47.7014 0.0000 173.7963 58 E 4.4535 9.1465 118.7685 55.3168 30.3056 175.9072 59 Q 4.6328 8.0364 119.1650 54.8978 30.4376 175.1921 60 V 4.1686 8.3312 122.9067 62.9844 32.2955 175.7187 61 V 4.4637 8.6371 119.2408 61.4358 34.1389 175.0000 62 A 4.8774 7.5244 119.9613 51.2205 22.4346 174.7976 63 E 5.0224 8.9256 119.0622 55.0696 33.4119 175.8164 64 G 4.3201 8.8917 108.5225 46.1017 0.0000 171.1721 65 E 5.0866 8.8088 119.1781 54.1510 32.0867 176.2339 66 L 4.6592 8.5370 124.7504 55.0189 42.4245 176.8635 67 V 4.5619 8.8121 115.7321 59.6269 36.5728 173.7122 68 D 5.0934 8.6162 121.6205 52.9363 42.6101 176.4187 69 V 4.1303 9.0323 127.1799 61.8677 30.9578 174.7722 70 E 3.9122 9.7529 127.4158 56.8370 27.1637 176.1027 71 G 4.0131 8.9313 108.4059 45.2451 0.0000 174.9639 72 R 4.3806 7.7790 118.9647 54.8979 31.3493 175.3609 73 L 4.5596 8.3288 123.2793 55.0243 42.9612 176.1152 74 G 4.2886 9.3039 112.4638 44.2275 0.0000 171.3568 75 L 5.0567 8.3849 122.9377 52.9960 44.1945 175.7103 76 Q 4.3167 9.1140 129.9056 54.9727 29.8799 174.9954 77 I 4.2689 8.4356 128.7554 62.0478 37.0204 176.1746 78 T 4.4562 8.7904 117.3883 62.6506 70.6071 175.0097 79 R 4.6016 7.6507 120.5272 55.1569 33.6059 173.3917 80 L 4.6908 8.4815 125.8923 53.7166 43.2413 176.9572 81 V 4.0234 8.4832 127.0969 62.6924 31.0961 176.7604 *82 T 4.2538 7.9756 118.3991 60.7340 69.4753 172.0132 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 11 A 8.12 4.32 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 12 L 7.81 3.87 0.00 1.81 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.27 4.41 0.00 2.68 2.72 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 14 S 7.62 4.37 0.00 3.96 3.87 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 15 L 7.70 4.00 0.00 1.88 1.59 0.91 0.56 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 16 A 8.53 4.36 1.24 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 17 L 8.31 4.67 0.00 1.62 1.59 0.86 0.97 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 18 D 8.71 4.64 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 5.19 0.00 1.52 1.64 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.84 4.74 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 21 L 8.43 4.83 0.00 1.53 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.36 4.46 0.00 1.82 1.78 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 23 C 9.60 4.79 0.00 2.98 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 24 G 7.22 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.72 4.76 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 26 L 7.99 4.74 0.00 1.71 1.63 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.36 4.64 0.00 1.75 1.82 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 28 L 8.17 4.95 0.00 1.61 1.49 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.72 4.15 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 1.25 0.00 0.00 30 L 8.39 3.90 0.00 1.77 1.70 0.92 1.20 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 31 A 7.93 3.97 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 32 E 8.10 3.89 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 2.33 2.32 0.00 33 L 7.92 4.08 0.00 1.85 1.80 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.64 4.12 0.00 2.14 1.97 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 35 R 7.73 4.20 0.00 1.93 1.97 0.00 3.16 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 1.66 1.81 0.00 36 L 7.01 4.14 0.00 1.82 1.70 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.31 4.81 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.14 1.27 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 0.00 0.00 39 G 9.16 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.35 3.82 4.30 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 1.21 0.00 0.00 41 I 8.26 4.34 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 1.41 0.68 0.91 0.00 0.00 42 L 8.19 4.60 0.00 1.62 1.58 0.92 0.96 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 43 E 8.64 4.04 0.00 1.90 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 2.29 2.36 0.00 44 V 8.24 4.28 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 0.90 0.00 0.00 0.93 0.00 0.00 45 T 8.75 4.46 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 1.24 0.00 0.00 46 G 10.43 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 47 I 7.01 4.39 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.51 0.94 0.00 0.00 48 S 8.49 4.31 0.00 3.91 3.74 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 49 P 0.00 4.30 0.00 2.05 2.00 0.00 3.77 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 50 G 8.94 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 51 H 7.60 5.50 0.00 3.21 3.21 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.93 4.87 1.24 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 53 T 8.74 4.93 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 1.22 0.00 0.00 54 L 8.86 4.94 0.00 1.74 1.58 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 C 9.41 5.36 0.00 2.82 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 56 H 9.31 4.91 0.00 3.16 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.83 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.15 4.45 0.00 1.99 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 2.16 1.88 0.00 59 Q 8.04 4.63 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 60 V 8.33 4.17 2.09 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 0.85 0.00 0.00 0.93 0.00 0.00 61 V 8.64 4.46 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 0.65 0.00 0.00 0.98 0.00 0.00 62 A 7.52 4.88 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 63 E 8.93 5.02 0.00 1.88 1.83 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 2.21 2.22 0.00 64 G 8.89 4.32 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 0.00 65 E 8.81 5.09 0.00 1.96 1.79 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 2.22 2.12 0.00 66 L 8.54 4.66 0.00 1.51 1.59 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.81 4.56 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 0.67 0.00 0.00 0.94 0.00 0.00 68 D 8.62 5.09 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.03 4.13 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 0.94 0.00 0.00 0.93 0.00 0.00 70 E 9.75 3.91 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 2.22 2.28 0.00 71 G 8.93 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 0.00 0.00 0.00 72 R 7.78 4.38 0.00 1.98 1.84 0.00 3.12 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 73 L 8.33 4.56 0.00 1.64 1.56 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.30 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.38 5.06 0.00 1.61 1.56 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.11 4.32 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 77 I 8.44 4.27 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 1.40 0.92 0.94 0.00 0.00 78 T 8.79 4.46 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 1.24 0.00 0.00 79 R 7.65 4.60 0.00 1.88 1.75 0.00 3.16 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 80 L 8.48 4.69 0.00 1.57 1.58 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.48 4.02 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 0.70 0.00 0.00 0.93 0.00 0.00 *82 T 7.98 4.25 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.